4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

C21H49N3OSi — CID 140647381

IUPAC4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](C)(C)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C21H49N3OSi/c1-10-25-26(8,9)20-21(14-11-17-22(2)3,15-12-18-23(4)5)16-13-19-24(6)7/h10-20H2,1-9H3
InChIKeyYILHOCMTJLTOBW-UHFFFAOYSA-N
MW387.73 g/mol
LogP4.24
Rot. Bonds16

About 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (PubChem CID 140647381) has the molecular formula C21H49N3OSi and a molecular weight of 387.73 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
PubChem CID140647381
Molecular FormulaC21H49N3OSi
Molecular Weight387.73 g/mol
Exact Mass387.36
IUPAC Name4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCO[Si](C)(C)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C21H49N3OSi/c1-10-25-26(8,9)20-21(14-11-17-22(2)3,15-12-18-23(4)5)16-13-19-24(6)7/h10-20H2,1-9H3
InChIKeyYILHOCMTJLTOBW-UHFFFAOYSA-N
XLogP4.24
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propyl]-4-[[ethoxy(diethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647576
4-[[diethoxy(ethyl)silyl]methyl]-4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647270
3-[2-(diethylamino)ethyl]-3-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718358
4-[(ethoxy-ethyl-methylsilyl)methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647565
4-[diethoxy(methyl)silyl]oxy-1-N,1-N-dimethylpentane-1,4-diamine
CID 160890336
4-[[diethoxy(ethyl)silyl]methyl]-N,N'-diethyl-4-[3-[ethyl(methyl)amino]propyl]-N,N'-dimethylheptane-1,7-diamine
CID 140647325
2-[[ethoxy(dimethyl)silyl]methyl]-N,N'-diethyl-2-[[ethyl(propyl)amino]methyl]-N,N'-dipropylpropane-1,3-diamine
CID 140647426
4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-dimethylpropan-1-amine
CID 171623500
3-[2-[ethoxy(dimethyl)silyl]ethyl]-N,N'-dimethyl-3-[2-[methyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718241
4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 140647331
2-[ethoxy(dimethyl)silyl]-N,N-bis(trimethylsilyl)ethanamine
CID 87431017

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (CID 140647381) is 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is CCO[Si](C)(C)CC(CCCN(C)C)(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The InChIKey is YILHOCMTJLTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H49N3OSi/c1-10-25-26(8,9)20-21(14-11-17-22(2)3,15-12-18-23(4)5)16-13-19-24(6)7/h10-20H2,1-9H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine has a molecular weight of 387.73 g/mol, XLogP of 4.24, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-4-[[ethoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is sourced from PubChem (CID 140647381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).