(E)-N-ethyl-2-methylhexadec-9-en-2-amine

C19H39N — CID 19893553

IUPAC(E)-N-ethyl-2-methylhexadec-9-en-2-amine
SMILESCCCCCC/C=C/CCCCCCC(C)(C)NCC
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)20-6-2/h11-12,20H,5-10,13-18H2,1-4H3/b12-11+
InChIKeyBKFFEGDAYDNVMS-VAWYXSNFSA-N
MW281.53 g/mol
LogP6.24
Rot. Bonds14

About (E)-N-ethyl-2-methylhexadec-9-en-2-amine

(E)-N-ethyl-2-methylhexadec-9-en-2-amine (PubChem CID 19893553) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (E)-N-ethyl-2-methylhexadec-9-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-methylhexadec-9-en-2-amine
PubChem CID19893553
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(E)-N-ethyl-2-methylhexadec-9-en-2-amine
SMILESCCCCCC/C=C/CCCCCCC(C)(C)NCC
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)20-6-2/h11-12,20H,5-10,13-18H2,1-4H3/b12-11+
InChIKeyBKFFEGDAYDNVMS-VAWYXSNFSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.24
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 (E)-N-ethyl-2-methylhexadec-9-en-2-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

(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-methylhexadec-9-en-2-amine?
The IUPAC name of (E)-N-ethyl-2-methylhexadec-9-en-2-amine (CID 19893553) is (E)-N-ethyl-2-methylhexadec-9-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-2-methylhexadec-9-en-2-amine?
The canonical SMILES for (E)-N-ethyl-2-methylhexadec-9-en-2-amine is CCCCCC/C=C/CCCCCCC(C)(C)NCC.
What is the InChIKey of (E)-N-ethyl-2-methylhexadec-9-en-2-amine?
The InChIKey is BKFFEGDAYDNVMS-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H39N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)20-6-2/h11-12,20H,5-10,13-18H2,1-4H3/b12-11+.
What are the key properties of (E)-N-ethyl-2-methylhexadec-9-en-2-amine?
(E)-N-ethyl-2-methylhexadec-9-en-2-amine has a molecular weight of 281.53 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-methylhexadec-9-en-2-amine is sourced from PubChem (CID 19893553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).