2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine

C12H21N — CID 123558604

IUPAC2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine
SMILESC=C=CCC(=CN(C)CCC)CC
InChIInChI=1S/C12H21N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h8,11H,1,6-7,9-10H2,2-4H3
InChIKeyFQAYVFQNXPICQP-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.35
Rot. Bonds6

About 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine

2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine (PubChem CID 123558604) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine
PubChem CID123558604
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine
SMILESC=C=CCC(=CN(C)CCC)CC
InChIInChI=1S/C12H21N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h8,11H,1,6-7,9-10H2,2-4H3
InChIKeyFQAYVFQNXPICQP-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-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

cyclohexylidene-N,N-dimethylmethanamine
CID 12542934
N-dimethylaminohexene
CID 22930926
N,N-dimethylamino-hexene
CID 74010643
2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
(Z)-4-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
CID 143551208
(Z)-N-(2,2-dimethylpropyl)-4-fluoro-N,2-dimethyl-3-methylidenepent-1-en-1-amine
CID 146226342
(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 154937376
(E)-N-butyl-N-methylhex-1-en-1-amine
CID 12120960
N-(cyclopentylidenemethyl)-N-ethylethanamine
CID 12584846
1-Diethylamino-2-methyl-1-pentene
CID 129663481
(Z)-N,N,2-trimethylhex-1-en-1-amine
CID 134875029
(Z)-2-ethyl-N,N-dimethylhex-1-en-1-amine
CID 134894583

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine?
The IUPAC name of 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine (CID 123558604) is 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine is C=C=CCC(=CN(C)CCC)CC.
What is the InChIKey of 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine?
The InChIKey is FQAYVFQNXPICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h8,11H,1,6-7,9-10H2,2-4H3.
What are the key properties of 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine?
2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-propylhexa-1,4,5-trien-1-amine is sourced from PubChem (CID 123558604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).