1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine

C33H71N3Si — CID 173061517

IUPAC1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine
SMILESC=C(N(CCCCC)CCCCC)C([SiH3])(N(CCCCC)CCCCC)N(CCCCC)CCCCC
InChIInChI=1S/C33H71N3Si/c1-8-14-20-26-34(27-21-15-9-2)32(7)33(37,35(28-22-16-10-3)29-23-17-11-4)36(30-24-18-12-5)31-25-19-13-6/h7-31H2,1-6,37H3
InChIKeyQLGNZJXWEUDJSW-UHFFFAOYSA-N
MW538.04 g/mol
LogP8.57
Rot. Bonds28

About 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine

1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine (PubChem CID 173061517) has the molecular formula C33H71N3Si and a molecular weight of 538.04 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine
PubChem CID173061517
Molecular FormulaC33H71N3Si
Molecular Weight538.04 g/mol
Exact Mass537.54
IUPAC Name1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine
SMILESC=C(N(CCCCC)CCCCC)C([SiH3])(N(CCCCC)CCCCC)N(CCCCC)CCCCC
InChIInChI=1S/C33H71N3Si/c1-8-14-20-26-34(27-21-15-9-2)32(7)33(37,35(28-22-16-10-3)29-23-17-11-4)36(30-24-18-12-5)31-25-19-13-6/h7-31H2,1-6,37H3
InChIKeyQLGNZJXWEUDJSW-UHFFFAOYSA-N
XLogP8.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.04
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
CID 22164562
CID 22164562
N-(1-methylsulfanylethenyl)-N-octyloctan-1-amine
CID 145283930
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
sodium N,N-dihexylcarbamodithioate
CID 23671974
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine (CID 173061517) is 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine is C=C(N(CCCCC)CCCCC)C([SiH3])(N(CCCCC)CCCCC)N(CCCCC)CCCCC.
What is the InChIKey of 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine?
The InChIKey is QLGNZJXWEUDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H71N3Si/c1-8-14-20-26-34(27-21-15-9-2)32(7)33(37,35(28-22-16-10-3)29-23-17-11-4)36(30-24-18-12-5)31-25-19-13-6/h7-31H2,1-6,37H3.
What are the key properties of 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine?
1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine has a molecular weight of 538.04 g/mol, XLogP of 8.57, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',2-N,2-N-hexapentyl-1-silylprop-2-ene-1,1,2-triamine is sourced from PubChem (CID 173061517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).