(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine

C8H13N — CID 89074270

IUPAC(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/NC
InChIInChI=1S/C8H13N/c1-4-5-8(2)6-7-9-3/h4-7,9H,1H2,2-3H3/b7-6-,8-5-
InChIKeyFVLMVQSUAYXQER-HSHIGALWSA-N
MW123.20 g/mol
LogP1.85
Rot. Bonds3

About (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 89074270) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine
PubChem CID89074270
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/NC
InChIInChI=1S/C8H13N/c1-4-5-8(2)6-7-9-3/h4-7,9H,1H2,2-3H3/b7-6-,8-5-
InChIKeyFVLMVQSUAYXQER-HSHIGALWSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.85
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)-N,3-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine (CID 89074270) is (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C/NC.
What is the InChIKey of (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is FVLMVQSUAYXQER-HSHIGALWSA-N. The full InChI is InChI=1S/C8H13N/c1-4-5-8(2)6-7-9-3/h4-7,9H,1H2,2-3H3/b7-6-,8-5-.
What are the key properties of (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,3-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89074270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).