(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine

C11H17N — CID 142987567

IUPAC(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(\C=C/C)N(C)C=C
InChIInChI=1S/C11H17N/c1-6-9-11(10(4)7-2)12(5)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-,11-10+
InChIKeyCGFLWAOVTRFLQS-KBCDKWTQSA-N
MW163.26 g/mol
LogP3.10
Rot. Bonds4

About (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine

(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 142987567) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
PubChem CID142987567
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(\C=C/C)N(C)C=C
InChIInChI=1S/C11H17N/c1-6-9-11(10(4)7-2)12(5)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-,11-10+
InChIKeyCGFLWAOVTRFLQS-KBCDKWTQSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
CID 134566444
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(2Z,4E,6Z)-N-(2,2-dimethylpropyl)-N,5-dimethylocta-2,4,6-trien-4-amine
CID 134580456
(3Z,5Z)-N-ethyl-N,3-dimethylocta-1,3,5,7-tetraen-4-amine
CID 162762569
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
3,4-dimethylpenta-1,3-diene
CID 6713443
ethane;N-ethenyl-N-methylacetamide
CID 143223383
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine (CID 142987567) is (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine is C=C/C(C)=C(\C=C/C)N(C)C=C.
What is the InChIKey of (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is CGFLWAOVTRFLQS-KBCDKWTQSA-N. The full InChI is InChI=1S/C11H17N/c1-6-9-11(10(4)7-2)12(5)8-3/h6-9H,2-3H2,1,4-5H3/b9-6-,11-10+.
What are the key properties of (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine?
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 163.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 142987567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).