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

C10H17N — CID 139250144

IUPAC(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C=C/C
InChIInChI=1S/C10H17N/c1-4-5-6-7-8-11-9-10(2)3/h4-7,11H,2,8-9H2,1,3H3/b5-4+,7-6+
InChIKeyBPCYRSDTLXUNMW-YTXTXJHMSA-N
MW151.25 g/mol
LogP2.28
Rot. Bonds5

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

(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine (PubChem CID 139250144) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
PubChem CID139250144
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
SMILESC=C(C)CNC/C=C/C=C/C
InChIInChI=1S/C10H17N/c1-4-5-6-7-8-11-9-10(2)3/h4-7,11H,2,8-9H2,1,3H3/b5-4+,7-6+
InChIKeyBPCYRSDTLXUNMW-YTXTXJHMSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.28
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

(E)-N,N'-dipropylbut-2-ene-1,4-diamine
CID 12397196
3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
CID 67948027
(E)-N-tert-butyl-2-methylbut-2-en-1-amine
CID 14244683
2-Buten-1-amine, 3-methyl-N-2-propenyl-
CID 10877117
(E)-1-(2-propenylamino)-2,4-pentadiene
CID 12288410
3-Vinyl-3-pyrroline
CID 91227950
(2E,4E)-N-prop-2-enylhexa-2,4-dien-1-amine
CID 118870996
N-(3-methylbut-2-enyl)pentan-1-amine
CID 60061038
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
CID 129136227
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 142464980

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine (CID 139250144) is (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine is C=C(C)CNC/C=C/C=C/C.
What is the InChIKey of (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
The InChIKey is BPCYRSDTLXUNMW-YTXTXJHMSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-7-8-11-9-10(2)3/h4-7,11H,2,8-9H2,1,3H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine?
(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 139250144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).