4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine

C16H39NO6Si2 — CID 87669047

IUPAC4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
SMILESCCCC(N)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C16H39NO6Si2/c1-8-11-16(17,12-9-14-24(18-2,19-3)20-4)13-10-15-25(21-5,22-6)23-7/h8-15,17H2,1-7H3
InChIKeyHWVVMVJKXLXYHD-UHFFFAOYSA-N
MW397.66 g/mol
LogP2.80
Rot. Bonds16

About 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine

4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine (PubChem CID 87669047) has the molecular formula C16H39NO6Si2 and a molecular weight of 397.66 g/mol. Its IUPAC name is 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine.

Molecular Properties

Compound Name4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
PubChem CID87669047
Molecular FormulaC16H39NO6Si2
Molecular Weight397.66 g/mol
Exact Mass397.23
IUPAC Name4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
SMILESCCCC(N)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C16H39NO6Si2/c1-8-11-16(17,12-9-14-24(18-2,19-3)20-4)13-10-15-25(21-5,22-6)23-7/h8-15,17H2,1-7H3
InChIKeyHWVVMVJKXLXYHD-UHFFFAOYSA-N
XLogP2.80
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-trimethoxysilylpentan-3-amine
CID 21018739
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
3-propylheptane-1,3,7-triamine
CID 57060059
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
1-[dimethoxy(propyl)silyl]oxybutane-1,1-diamine
CID 88723815
azane;trimethoxy(pentyl)silane
CID 19608931
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine?
The IUPAC name of 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine (CID 87669047) is 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine.
What is the SMILES notation for 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine?
The canonical SMILES for 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine is CCCC(N)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine?
The InChIKey is HWVVMVJKXLXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO6Si2/c1-8-11-16(17,12-9-14-24(18-2,19-3)20-4)13-10-15-25(21-5,22-6)23-7/h8-15,17H2,1-7H3.
What are the key properties of 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine?
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine has a molecular weight of 397.66 g/mol, XLogP of 2.80, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine is sourced from PubChem (CID 87669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).