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

C7H13N — CID 142249043

IUPAC(2Z,4E)-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C/C=C(/C)NC
InChIInChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-6,8H,1-3H3/b5-4+,7-6-
InChIKeyHPWUCUYZJJZPGI-DEQVHDEQSA-N
MW111.19 g/mol
LogP1.69
Rot. Bonds2

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

(2Z,4E)-N-methylhexa-2,4-dien-2-amine (PubChem CID 142249043) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2Z,4E)-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methylhexa-2,4-dien-2-amine
PubChem CID142249043
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2Z,4E)-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C/C=C(/C)NC
InChIInChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-6,8H,1-3H3/b5-4+,7-6-
InChIKeyHPWUCUYZJJZPGI-DEQVHDEQSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.69
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

(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
CID 145165350
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 131965537
(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine
CID 138706186
(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
CID 145332953
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
CID 166956386
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N-methylhexa-2,4-dien-2-amine (CID 142249043) is (2Z,4E)-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N-methylhexa-2,4-dien-2-amine is C/C=C/C=C(/C)NC.
What is the InChIKey of (2Z,4E)-N-methylhexa-2,4-dien-2-amine?
The InChIKey is HPWUCUYZJJZPGI-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-6,8H,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-N-methylhexa-2,4-dien-2-amine?
(2Z,4E)-N-methylhexa-2,4-dien-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 142249043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).