(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine

C12H19N — CID 144984649

IUPAC(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
SMILESC=CCNC(=C)/C(C)=C(C)/C=C\C
InChIInChI=1S/C12H19N/c1-6-8-10(3)11(4)12(5)13-9-7-2/h6-8,13H,2,5,9H2,1,3-4H3/b8-6-,11-10+
InChIKeyHTCQFIPPAGNSPQ-FEVLKHHISA-N
MW177.29 g/mol
LogP3.19
Rot. Bonds5

About (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine

(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine (PubChem CID 144984649) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
PubChem CID144984649
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
SMILESC=CCNC(=C)/C(C)=C(C)/C=C\C
InChIInChI=1S/C12H19N/c1-6-8-10(3)11(4)12(5)13-9-7-2/h6-8,13H,2,5,9H2,1,3-4H3/b8-6-,11-10+
InChIKeyHTCQFIPPAGNSPQ-FEVLKHHISA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Related Compounds

(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2Z,4Z)-5-methyl-N-prop-2-enylocta-2,4,7-trien-4-amine
CID 145229389
3-methylidene-N-prop-2-enylpent-1-en-2-amine
CID 143353048
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
CID 59890757
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 144635572
3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
CID 166969590
methyl 2,3-dimethylhexa-2,4-dienoate
CID 72585476

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine (CID 144984649) is (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine is C=CCNC(=C)/C(C)=C(C)/C=C\C.
What is the InChIKey of (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine?
The InChIKey is HTCQFIPPAGNSPQ-FEVLKHHISA-N. The full InChI is InChI=1S/C12H19N/c1-6-8-10(3)11(4)12(5)13-9-7-2/h6-8,13H,2,5,9H2,1,3-4H3/b8-6-,11-10+.
What are the key properties of (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine?
(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine has a molecular weight of 177.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 144984649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).