(2Z,4Z)-7-methylocta-2,4-dien-2-amine

C9H17N — CID 155315035

IUPAC(2Z,4Z)-7-methylocta-2,4-dien-2-amine
SMILESC/C(N)=C/C=C\CC(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h4-5,7-8H,6,10H2,1-3H3/b5-4-,9-7-
InChIKeyKMAGTNLPSWMUGX-PHSHQRSZSA-N
MW139.24 g/mol
LogP2.45
Rot. Bonds3

About (2Z,4Z)-7-methylocta-2,4-dien-2-amine

(2Z,4Z)-7-methylocta-2,4-dien-2-amine (PubChem CID 155315035) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2Z,4Z)-7-methylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-7-methylocta-2,4-dien-2-amine
PubChem CID155315035
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2Z,4Z)-7-methylocta-2,4-dien-2-amine
SMILESC/C(N)=C/C=C\CC(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h4-5,7-8H,6,10H2,1-3H3/b5-4-,9-7-
InChIKeyKMAGTNLPSWMUGX-PHSHQRSZSA-N
XLogP2.45
TPSA26.02 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 ≤ 52.45
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 (2Z,4Z)-7-methylocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-7-methylocta-2,4-dien-2-amine (CID 155315035) is (2Z,4Z)-7-methylocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-7-methylocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-7-methylocta-2,4-dien-2-amine is C/C(N)=C/C=C\CC(C)C.
What is the InChIKey of (2Z,4Z)-7-methylocta-2,4-dien-2-amine?
The InChIKey is KMAGTNLPSWMUGX-PHSHQRSZSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-4-5-7-9(3)10/h4-5,7-8H,6,10H2,1-3H3/b5-4-,9-7-.
What are the key properties of (2Z,4Z)-7-methylocta-2,4-dien-2-amine?
(2Z,4Z)-7-methylocta-2,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-7-methylocta-2,4-dien-2-amine is sourced from PubChem (CID 155315035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).