(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine

C7H11N — CID 87171768

IUPAC(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/N
InChIInChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6H,1,8H2,2H3/b6-5-,7-4-
InChIKeySKEPVRADIMYUQC-RNPBPNGMSA-N
MW109.17 g/mol
LogP1.59
Rot. Bonds2

About (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 87171768) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine
PubChem CID87171768
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/N
InChIInChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6H,1,8H2,2H3/b6-5-,7-4-
InChIKeySKEPVRADIMYUQC-RNPBPNGMSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.59
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-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine (CID 87171768) is (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is SKEPVRADIMYUQC-RNPBPNGMSA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-7(2)5-6-8/h3-6H,1,8H2,2H3/b6-5-,7-4-.
What are the key properties of (1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.59, 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-1,3,5-trien-1-amine is sourced from PubChem (CID 87171768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).