4-methylhexa-2,4,5-trien-3-amine

C7H11N — CID 176543493

IUPAC4-methylhexa-2,4,5-trien-3-amine
SMILESC=C=C(C)C(N)=CC
InChIInChI=1S/C7H11N/c1-4-6(3)7(8)5-2/h5H,1,8H2,2-3H3
InChIKeyWJVVSZSGAVKGRG-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.58
Rot. Bonds1

About 4-methylhexa-2,4,5-trien-3-amine

4-methylhexa-2,4,5-trien-3-amine (PubChem CID 176543493) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-methylhexa-2,4,5-trien-3-amine.

Molecular Properties

Compound Name4-methylhexa-2,4,5-trien-3-amine
PubChem CID176543493
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-methylhexa-2,4,5-trien-3-amine
SMILESC=C=C(C)C(N)=CC
InChIInChI=1S/C7H11N/c1-4-6(3)7(8)5-2/h5H,1,8H2,2-3H3
InChIKeyWJVVSZSGAVKGRG-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.58
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

N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
CID 163263223
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
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(4E)-4-methylhexa-1,2,4-triene
CID 90999929
(E,4Z)-4-hydrazinylidenepent-2-en-3-amine
CID 166689118
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
buta-1,2-diene;ethane
CID 143712294
1-iodoprop-1-en-1-amine
CID 141312363
(Z)-4-iminopent-2-en-3-amine
CID 147180053
(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
CID 129096112
ethenyl 2-methylbuta-2,3-dienoate
CID 174869086
(Z)-but-2-en-2-amine;ethane;ethenamine
CID 143379680
4,5,6,7,8,9,10,11,12,13,14-undeca(ethylidene)-15-methylheptadeca-2,15-dien-3-amine
CID 141175966

Frequently Asked Questions

What is the IUPAC name of 4-methylhexa-2,4,5-trien-3-amine?
The IUPAC name of 4-methylhexa-2,4,5-trien-3-amine (CID 176543493) is 4-methylhexa-2,4,5-trien-3-amine.
What is the SMILES notation for 4-methylhexa-2,4,5-trien-3-amine?
The canonical SMILES for 4-methylhexa-2,4,5-trien-3-amine is C=C=C(C)C(N)=CC.
What is the InChIKey of 4-methylhexa-2,4,5-trien-3-amine?
The InChIKey is WJVVSZSGAVKGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-6(3)7(8)5-2/h5H,1,8H2,2-3H3.
What are the key properties of 4-methylhexa-2,4,5-trien-3-amine?
4-methylhexa-2,4,5-trien-3-amine has a molecular weight of 109.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexa-2,4,5-trien-3-amine is sourced from PubChem (CID 176543493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).