N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine

C14H32N2O3Si — CID 123500483

IUPACN-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine
SMILES[H]/N=C(\C)CCCNCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H32N2O3Si/c1-14(15)10-9-12-16-11-7-5-6-8-13-20(17-2,18-3)19-4/h15-16H,5-13H2,1-4H3/b15-14+
InChIKeyLHHIJGQFAGBTPT-CCEZHUSRSA-N
MW304.51 g/mol
LogP2.83
Rot. Bonds14

About N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine

N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine (PubChem CID 123500483) has the molecular formula C14H32N2O3Si and a molecular weight of 304.51 g/mol. Its IUPAC name is N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine.

Molecular Properties

Compound NameN-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine
PubChem CID123500483
Molecular FormulaC14H32N2O3Si
Molecular Weight304.51 g/mol
Exact Mass304.22
IUPAC NameN-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine
SMILES[H]/N=C(\C)CCCNCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H32N2O3Si/c1-14(15)10-9-12-16-11-7-5-6-8-13-20(17-2,18-3)19-4/h15-16H,5-13H2,1-4H3/b15-14+
InChIKeyLHHIJGQFAGBTPT-CCEZHUSRSA-N
XLogP2.83
TPSA63.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592

Frequently Asked Questions

What is the IUPAC name of N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine?
The IUPAC name of N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine (CID 123500483) is N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine.
What is the SMILES notation for N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine?
The canonical SMILES for N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine is [H]/N=C(\C)CCCNCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine?
The InChIKey is LHHIJGQFAGBTPT-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H32N2O3Si/c1-14(15)10-9-12-16-11-7-5-6-8-13-20(17-2,18-3)19-4/h15-16H,5-13H2,1-4H3/b15-14+.
What are the key properties of N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine?
N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine has a molecular weight of 304.51 g/mol, XLogP of 2.83, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine is sourced from PubChem (CID 123500483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).