(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine

C12H21N — CID 139250145

IUPAC(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C=C/C(C)C
InChIInChI=1S/C12H21N/c1-11(2)8-6-5-7-9-13-10-12(3)4/h5-8,11,13H,3,9-10H2,1-2,4H3/b7-5+,8-6+
InChIKeyBWZWZHWKTCVRDG-KQQUZDAGSA-N
MW179.31 g/mol
LogP2.92
Rot. Bonds6

About (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine

(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine (PubChem CID 139250145) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
PubChem CID139250145
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C=C/C(C)C
InChIInChI=1S/C12H21N/c1-11(2)8-6-5-7-9-13-10-12(3)4/h5-8,11,13H,3,9-10H2,1-2,4H3/b7-5+,8-6+
InChIKeyBWZWZHWKTCVRDG-KQQUZDAGSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.92
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

N-Butyl-N-[(E)-3,5-hexadien-1-yl]amine
CID 59529047
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
(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
(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 134409229
N-(fluoromethyl)-1-[3-[(Z)-prop-1-enyl]cyclohepta-2,4,6-trien-1-yl]methanamine
CID 138478226
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine (CID 139250145) is (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine is C=C(C)CNC/C=C/C=C/C(C)C.
What is the InChIKey of (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine?
The InChIKey is BWZWZHWKTCVRDG-KQQUZDAGSA-N. The full InChI is InChI=1S/C12H21N/c1-11(2)8-6-5-7-9-13-10-12(3)4/h5-8,11,13H,3,9-10H2,1-2,4H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine?
(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine is sourced from PubChem (CID 139250145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).