(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine

C9H15N — CID 126553029

IUPAC(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
SMILESC=CC(=C/C)/C(=C\C)NC
InChIInChI=1S/C9H15N/c1-5-8(6-2)9(7-3)10-4/h5-7,10H,1H2,2-4H3/b8-6-,9-7+
InChIKeyZPRUCPVWBXYSAS-MKKAVFGOSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds3

About (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine

(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine (PubChem CID 126553029) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
PubChem CID126553029
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
SMILESC=CC(=C/C)/C(=C\C)NC
InChIInChI=1S/C9H15N/c1-5-8(6-2)9(7-3)10-4/h5-7,10H,1H2,2-4H3/b8-6-,9-7+
InChIKeyZPRUCPVWBXYSAS-MKKAVFGOSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(methylamino)penta-1,3-dien-2-ol
CID 89219015
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334
(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
CID 138555327
N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
CID 172960803
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309
(2E,4Z)-2-ethenyl-5-(methylamino)hexa-2,4-dienoic acid
CID 166647606
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
1,3-dimethylurea;prop-1-ene
CID 160798014

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine (CID 126553029) is (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine is C=CC(=C/C)/C(=C\C)NC.
What is the InChIKey of (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine?
The InChIKey is ZPRUCPVWBXYSAS-MKKAVFGOSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8(6-2)9(7-3)10-4/h5-7,10H,1H2,2-4H3/b8-6-,9-7+.
What are the key properties of (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine?
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 126553029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).