(1Z,3Z)-3-methylhexa-1,3-dien-1-amine

C7H13N — CID 87413910

IUPAC(1Z,3Z)-3-methylhexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C=C/N
InChIInChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5-,7-4-
InChIKeyWKVPYXPKBPDMDV-RNPBPNGMSA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds2

About (1Z,3Z)-3-methylhexa-1,3-dien-1-amine

(1Z,3Z)-3-methylhexa-1,3-dien-1-amine (PubChem CID 87413910) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1Z,3Z)-3-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methylhexa-1,3-dien-1-amine
PubChem CID87413910
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1Z,3Z)-3-methylhexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C=C/N
InChIInChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5-,7-4-
InChIKeyWKVPYXPKBPDMDV-RNPBPNGMSA-N
XLogP1.82
TPSA26.02 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-methylhexa-1,3-dien-1-amine (CID 87413910) is (1Z,3Z)-3-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methylhexa-1,3-dien-1-amine is CC/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z)-3-methylhexa-1,3-dien-1-amine?
The InChIKey is WKVPYXPKBPDMDV-RNPBPNGMSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h4-6H,3,8H2,1-2H3/b6-5-,7-4-.
What are the key properties of (1Z,3Z)-3-methylhexa-1,3-dien-1-amine?
(1Z,3Z)-3-methylhexa-1,3-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 87413910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).