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

C7H13N — CID 126728104

IUPAC(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
SMILESC/C=C(C)\C=C(\C)N
InChIInChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h4-5H,8H2,1-3H3/b6-4-,7-5-
InChIKeyKVCIONSLUJAJFC-PEPZGXQESA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds1

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

(2Z,4Z)-4-methylhexa-2,4-dien-2-amine (PubChem CID 126728104) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (2Z,4Z)-4-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
PubChem CID126728104
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
SMILESC/C=C(C)\C=C(\C)N
InChIInChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h4-5H,8H2,1-3H3/b6-4-,7-5-
InChIKeyKVCIONSLUJAJFC-PEPZGXQESA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.82
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

(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579
(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
CID 163732372
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
(4Z,6Z)-6-methylocta-4,6-dien-4-amine
CID 139365447
2,6-diaminohepta-2,5-dien-4-one
CID 74377910
2-bromo-4-methylhexa-2,4-diene
CID 76702782
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
CID 163733302
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-4-methylhexa-2,4-dien-2-amine (CID 126728104) is (2Z,4Z)-4-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-4-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-4-methylhexa-2,4-dien-2-amine is C/C=C(C)\C=C(\C)N.
What is the InChIKey of (2Z,4Z)-4-methylhexa-2,4-dien-2-amine?
The InChIKey is KVCIONSLUJAJFC-PEPZGXQESA-N. The full InChI is InChI=1S/C7H13N/c1-4-6(2)5-7(3)8/h4-5H,8H2,1-3H3/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-4-methylhexa-2,4-dien-2-amine?
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 126728104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).