1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine

C20H42N2Si2 — CID 123853994

IUPAC1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine
SMILESCCC(C)N(C1CCCC1)[SiH]1C[SiH](N(C(C)CC)C2CCCC2)C1
InChIInChI=1S/C20H42N2Si2/c1-5-17(3)21(19-11-7-8-12-19)23-15-24(16-23)22(18(4)6-2)20-13-9-10-14-20/h17-20,23-24H,5-16H2,1-4H3
InChIKeyGMPUSJGBGHJKTJ-UHFFFAOYSA-N
MW366.74 g/mol
LogP4.61
Rot. Bonds8

About 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine

1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine (PubChem CID 123853994) has the molecular formula C20H42N2Si2 and a molecular weight of 366.74 g/mol. Its IUPAC name is 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine
PubChem CID123853994
Molecular FormulaC20H42N2Si2
Molecular Weight366.74 g/mol
Exact Mass366.29
IUPAC Name1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine
SMILESCCC(C)N(C1CCCC1)[SiH]1C[SiH](N(C(C)CC)C2CCCC2)C1
InChIInChI=1S/C20H42N2Si2/c1-5-17(3)21(19-11-7-8-12-19)23-15-24(16-23)22(18(4)6-2)20-13-9-10-14-20/h17-20,23-24H,5-16H2,1-4H3
InChIKeyGMPUSJGBGHJKTJ-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[1-[butan-2-yl(cyclopentyl)amino]silylethylsilyl]cyclopentanamine
CID 123939290
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296
N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
CID 102861028
N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 130634772
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine?
The IUPAC name of 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine (CID 123853994) is 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine is CCC(C)N(C1CCCC1)[SiH]1C[SiH](N(C(C)CC)C2CCCC2)C1.
What is the InChIKey of 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine?
The InChIKey is GMPUSJGBGHJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2Si2/c1-5-17(3)21(19-11-7-8-12-19)23-15-24(16-23)22(18(4)6-2)20-13-9-10-14-20/h17-20,23-24H,5-16H2,1-4H3.
What are the key properties of 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine?
1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine has a molecular weight of 366.74 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(butan-2-yl)-1-N,3-N-dicyclopentyl-1,3-disiletane-1,3-diamine is sourced from PubChem (CID 123853994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).