(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine

C9H17N — CID 143169630

IUPAC(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\C)CC)NC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h6-7,10H,5H2,1-4H3/b8-7-,9-6+
InChIKeyKFVRBKSCSSLLBZ-SOKJVCRVSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds3

About (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine

(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine (PubChem CID 143169630) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
PubChem CID143169630
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\C)CC)NC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h6-7,10H,5H2,1-4H3/b8-7-,9-6+
InChIKeyKFVRBKSCSSLLBZ-SOKJVCRVSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
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 (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine (CID 143169630) is (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine is C/C=C(\C=C(\C)CC)NC.
What is the InChIKey of (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine?
The InChIKey is KFVRBKSCSSLLBZ-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(6-2)10-4/h6-7,10H,5H2,1-4H3/b8-7-,9-6+.
What are the key properties of (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine?
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 143169630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).