(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine

C11H19N — CID 139250147

IUPAC(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C(C)=C/C
InChIInChI=1S/C11H19N/c1-5-11(4)7-6-8-12-9-10(2)3/h5-7,12H,2,8-9H2,1,3-4H3/b7-6+,11-5+
InChIKeyPIKQHZOZCYWLKO-YDRCSAEOSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds5

About (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine

(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine (PubChem CID 139250147) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
PubChem CID139250147
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C(C)=C/C
InChIInChI=1S/C11H19N/c1-5-11(4)7-6-8-12-9-10(2)3/h5-7,12H,2,8-9H2,1,3-4H3/b7-6+,11-5+
InChIKeyPIKQHZOZCYWLKO-YDRCSAEOSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
N-Butyl-N-[(E)-3,5-hexadien-1-yl]amine
CID 59529047
3-Vinyl-3-pyrroline
CID 91227950
3-Methylen-1,2,3,6-tetrahydropyridine
CID 129860157
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
(2E)-N-ethyl-3,7-dimethylocta-2,6-dien-1-amine
CID 88612823
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine (CID 139250147) is (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine is C=C(C)CNC/C=C/C(C)=C/C.
What is the InChIKey of (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The InChIKey is PIKQHZOZCYWLKO-YDRCSAEOSA-N. The full InChI is InChI=1S/C11H19N/c1-5-11(4)7-6-8-12-9-10(2)3/h5-7,12H,2,8-9H2,1,3-4H3/b7-6+,11-5+.
What are the key properties of (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 139250147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).