1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane

C71H180N20O8SSi2 — CID 158392634

About 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane

1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane (PubChem CID 158392634) has the molecular formula C71H180N20O8SSi2 and a molecular weight of 1530.59 g/mol. Its IUPAC name is 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane.

Molecular Properties

• Compound Name: 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane
• PubChem CID: 158392634
• Molecular Formula: C71H180N20O8SSi2
• Molecular Weight: 1530.59 g/mol
• Exact Mass: 1529.36
• IUPAC Name: 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane
• SMILES: C1CNCCNC1.C1COCCNCCOCCOCCN1.CC(C)N(CCN)C(C)C.CC(N)CN(C)C.CCN(CC)CCN.CCO[Si](C)(CCCN)OCC.CCO[Si](CCCN)(OCC)OCC.CN(C)CCCN.CN1CCCN1CCN.CSCCN.NCCN1CCCC1
• InChI: InChI=1S/C10H22N2O3.C9H23NO3Si.C8H20N2.C8H21NO2Si.C6H15N3.C6H14N2.C6H16N2.C5H12N2.2C5H14N2.C3H9NS/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-7(2)10(6-5-9)8(3)4;1-4-10-12(3,11-5-2)8-6-7-9;1-8-4-2-5-9(8)6-3-7;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;1-2-6-4-5-7-3-1;1-5(6)4-7(2)3;1-7(2)5-3-4-6;1-5-3-2-4/h11-12H,1-10H2;4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;4-9H2,1-3H3;2-7H2,1H3;1-7H2;3-7H2,1-2H3;6-7H,1-5H2;5H,4,6H2,1-3H3;3-6H2,1-2H3;2-4H2,1H3
• InChIKey: GXDQFADAPCPLND-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 378.82 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1530.59
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane?

The IUPAC name of 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane (CID 158392634) is 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane.

What is the SMILES notation for 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane?

The canonical SMILES for 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane is C1CNCCNC1.C1COCCNCCOCCOCCN1.CC(C)N(CCN)C(C)C.CC(N)CN(C)C.CCN(CC)CCN.CCO[Si](C)(CCCN)OCC.CCO[Si](CCCN)(OCC)OCC.CN(C)CCCN.CN1CCCN1CCN.CSCCN.NCCN1CCCC1.

What is the InChIKey of 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane?

The InChIKey is GXDQFADAPCPLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3.C9H23NO3Si.C8H20N2.C8H21NO2Si.C6H15N3.C6H14N2.C6H16N2.C5H12N2.2C5H14N2.C3H9NS/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-7(2)10(6-5-9)8(3)4;1-4-10-12(3,11-5-2)8-6-7-9;1-8-4-2-5-9(8)6-3-7;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;1-2-6-4-5-7-3-1;1-5(6)4-7(2)3;1-7(2)5-3-4-6;1-5-3-2-4/h11-12H,1-10H2;4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;4-9H2,1-3H3;2-7H2,1H3;1-7H2;3-7H2,1-2H3;6-7H,1-5H2;5H,4,6H2,1-3H3;3-6H2,1-2H3;2-4H2,1H3.

What are the key properties of 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane?

1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane has a molecular weight of 1530.59 g/mol, XLogP of 2.65, 35 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diazepane;3-[diethoxy(methyl)silyl]propan-1-amine;N',N'-diethylethane-1,2-diamine;1-N,1-N-dimethylpropane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine;2-(2-methylpyrazolidin-1-yl)ethanamine;2-methylsulfanylethanamine;2-pyrrolidin-1-ylethanamine;3-triethoxysilylpropan-1-amine;1,4,10-trioxa-7,13-diazacyclopentadecane is sourced from PubChem (CID 158392634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).