(Z)-20-methylhenicos-9-en-1-amine

C22H45N — CID 139899132

IUPAC(Z)-20-methylhenicos-9-en-1-amine
SMILESCC(C)CCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C22H45N/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3,5,22H,4,6-21,23H2,1-2H3/b5-3-
InChIKeyGIPBYRFSMLCODU-HYXAFXHYSA-N
MW323.61 g/mol
LogP7.40
Rot. Bonds18

About (Z)-20-methylhenicos-9-en-1-amine

(Z)-20-methylhenicos-9-en-1-amine (PubChem CID 139899132) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is (Z)-20-methylhenicos-9-en-1-amine.

Molecular Properties

Compound Name(Z)-20-methylhenicos-9-en-1-amine
PubChem CID139899132
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name(Z)-20-methylhenicos-9-en-1-amine
SMILESCC(C)CCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C22H45N/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3,5,22H,4,6-21,23H2,1-2H3/b5-3-
InChIKeyGIPBYRFSMLCODU-HYXAFXHYSA-N
XLogP7.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.40
H-Bond Donors ≤ 51
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 (Z)-20-methylhenicos-9-en-1-amine 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

22-methyltricos-13-en-1-amine
CID 172998015
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
36-methylheptatriacontan-1-amine
CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-2,11-dimethyldodec-5-ene
CID 168834978
tetradec-7-ene-1,14-diamine
CID 91430908

Frequently Asked Questions

What is the IUPAC name of (Z)-20-methylhenicos-9-en-1-amine?
The IUPAC name of (Z)-20-methylhenicos-9-en-1-amine (CID 139899132) is (Z)-20-methylhenicos-9-en-1-amine.
What is the SMILES notation for (Z)-20-methylhenicos-9-en-1-amine?
The canonical SMILES for (Z)-20-methylhenicos-9-en-1-amine is CC(C)CCCCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-20-methylhenicos-9-en-1-amine?
The InChIKey is GIPBYRFSMLCODU-HYXAFXHYSA-N. The full InChI is InChI=1S/C22H45N/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h3,5,22H,4,6-21,23H2,1-2H3/b5-3-.
What are the key properties of (Z)-20-methylhenicos-9-en-1-amine?
(Z)-20-methylhenicos-9-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 7.40, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-20-methylhenicos-9-en-1-amine is sourced from PubChem (CID 139899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).