N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)

C35H73N — CID 168924709

IUPACN-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCCCCCCCCCCCCCN(C)CCCCCCCC(C)CCC
InChIInChI=1S/C29H61N.2C3H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-27-30(4)28-24-21-18-19-22-26-29(3)25-6-2;2*1-3-2/h29H,5-28H2,1-4H3;2*3H,1H2,2H3
InChIKeyBVQLAJLDLKUUEB-UHFFFAOYSA-N
MW507.98 g/mol
LogP12.56
Rot. Bonds25

About N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)

N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) (PubChem CID 168924709) has the molecular formula C35H73N and a molecular weight of 507.98 g/mol. Its IUPAC name is N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene).

Molecular Properties

Compound NameN-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)
PubChem CID168924709
Molecular FormulaC35H73N
Molecular Weight507.98 g/mol
Exact Mass507.57
IUPAC NameN-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCCCCCCCCCCCCCN(C)CCCCCCCC(C)CCC
InChIInChI=1S/C29H61N.2C3H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-27-30(4)28-24-21-18-19-22-26-29(3)25-6-2;2*1-3-2/h29H,5-28H2,1-4H3;2*3H,1H2,2H3
InChIKeyBVQLAJLDLKUUEB-UHFFFAOYSA-N
XLogP12.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)?
The IUPAC name of N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) (CID 168924709) is N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene).
What is the SMILES notation for N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)?
The canonical SMILES for N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) is C=CC.C=CC.CCCCCCCCCCCCCCCCN(C)CCCCCCCC(C)CCC.
What is the InChIKey of N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)?
The InChIKey is BVQLAJLDLKUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N.2C3H6/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-27-30(4)28-24-21-18-19-22-26-29(3)25-6-2;2*1-3-2/h29H,5-28H2,1-4H3;2*3H,1H2,2H3.
What are the key properties of N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene)?
N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) has a molecular weight of 507.98 g/mol, XLogP of 12.56, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(8-methylundecyl)hexadecan-1-amine;bis(prop-1-ene) is sourced from PubChem (CID 168924709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).