(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine

C12H19N — CID 145229389

IUPAC(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
SMILESC=CCNC(/C=C\C)=C(/C)CC=C
InChIInChI=1S/C12H19N/c1-5-8-11(4)12(9-6-2)13-10-7-3/h5-7,9,13H,1,3,8,10H2,2,4H3/b9-6-,12-11-
InChIKeyDBWSZTSIMQLKHE-KTXOSSPPSA-N
MW177.29 g/mol
LogP3.19
Rot. Bonds6

About (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine

(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine (PubChem CID 145229389) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
PubChem CID145229389
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
SMILESC=CCNC(/C=C\C)=C(/C)CC=C
InChIInChI=1S/C12H19N/c1-5-8-11(4)12(9-6-2)13-10-7-3/h5-7,9,13H,1,3,8,10H2,2,4H3/b9-6-,12-11-
InChIKeyDBWSZTSIMQLKHE-KTXOSSPPSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine with MolForge

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Related Compounds

(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
CID 144984649
(2Z)-3-N-prop-2-enylhexa-2,5-diene-2,3-diamine
CID 137400369
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
4-ethylidene-6-propan-2-ylidenenona-1,7-diene
CID 91411455
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
(6E,8Z)-7-methyl-4-methylidenedeca-1,6,8-triene
CID 142247806
(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
CID 20598416
(2Z,4Z)-3-(methylamino)hexa-2,4-dien-2-ol
CID 156745357
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine?
The IUPAC name of (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine (CID 145229389) is (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine.
What is the SMILES notation for (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine?
The canonical SMILES for (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine is C=CCNC(/C=C\C)=C(/C)CC=C.
What is the InChIKey of (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine?
The InChIKey is DBWSZTSIMQLKHE-KTXOSSPPSA-N. The full InChI is InChI=1S/C12H19N/c1-5-8-11(4)12(9-6-2)13-10-7-3/h5-7,9,13H,1,3,8,10H2,2,4H3/b9-6-,12-11-.
What are the key properties of (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine?
(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine has a molecular weight of 177.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine is sourced from PubChem (CID 145229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).