4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine

C27H61N3OSi — CID 140647664

IUPAC4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](C)(C)OC
InChIInChI=1S/C27H61N3OSi/c1-10-28(11-2)23-16-19-27(22-26-32(8,9)31-7,20-17-24-29(12-3)13-4)21-18-25-30(14-5)15-6/h10-26H2,1-9H3
InChIKeyYZTQYARERNZCFF-UHFFFAOYSA-N
MW471.89 g/mol
LogP6.58
Rot. Bonds22

About 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine

4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine (PubChem CID 140647664) has the molecular formula C27H61N3OSi and a molecular weight of 471.89 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
PubChem CID140647664
Molecular FormulaC27H61N3OSi
Molecular Weight471.89 g/mol
Exact Mass471.46
IUPAC Name4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
SMILESCCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](C)(C)OC
InChIInChI=1S/C27H61N3OSi/c1-10-28(11-2)23-16-19-27(22-26-32(8,9)31-7,20-17-24-29(12-3)13-4)21-18-25-30(14-5)15-6/h10-26H2,1-9H3
InChIKeyYZTQYARERNZCFF-UHFFFAOYSA-N
XLogP6.58
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.89
LogP ≤ 56.58
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-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
2-(diethylaminomethyl)-N,N,N',N'-tetraethyl-2-[2-[methoxy(dimethyl)silyl]ethyl]propane-1,3-diamine
CID 140647508
3-[2-(dipropylamino)ethyl]-3-[2-[methoxy(dimethyl)silyl]ethyl]-N,N,N',N'-tetrapropylpentane-1,5-diamine
CID 142718275
4-[3-(diethylamino)propyl]-4-[2-[ethoxy(diethyl)silyl]ethyl]-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 140647582
4-[3-(dipropylamino)propyl]-4-[[methoxy(dimethyl)silyl]methyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647719
N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
CID 140647551
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
CID 142718319
[tert-butyl(dimethyl)silyl] 3-[ethyl-[3-[methoxy(dimethyl)silyl]propyl]amino]propanoate
CID 88852191
4-[3-(dipropylamino)propyl]-4-[2-(ethoxy-ethyl-methylsilyl)ethyl]-N,N,N',N'-tetrapropylheptane-1,7-diamine
CID 140647594
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine?
The IUPAC name of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine (CID 140647664) is 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine?
The canonical SMILES for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine is CCN(CC)CCCC(CCCN(CC)CC)(CCCN(CC)CC)CC[Si](C)(C)OC.
What is the InChIKey of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine?
The InChIKey is YZTQYARERNZCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61N3OSi/c1-10-28(11-2)23-16-19-27(22-26-32(8,9)31-7,20-17-24-29(12-3)13-4)21-18-25-30(14-5)15-6/h10-26H2,1-9H3.
What are the key properties of 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine?
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine has a molecular weight of 471.89 g/mol, XLogP of 6.58, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine is sourced from PubChem (CID 140647664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).