(2Z,4Z)-N-methylhepta-2,4-dien-2-amine

C8H15N — CID 89431682

IUPAC(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
SMILESCC/C=C\C=C(\C)NC
InChIInChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-7,9H,4H2,1-3H3/b6-5-,8-7-
InChIKeyPEQSCZHCGQFOFU-ISTTXYCBSA-N
MW125.21 g/mol
LogP2.08
Rot. Bonds3

About (2Z,4Z)-N-methylhepta-2,4-dien-2-amine

(2Z,4Z)-N-methylhepta-2,4-dien-2-amine (PubChem CID 89431682) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2Z,4Z)-N-methylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
PubChem CID89431682
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
SMILESCC/C=C\C=C(\C)NC
InChIInChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-7,9H,4H2,1-3H3/b6-5-,8-7-
InChIKeyPEQSCZHCGQFOFU-ISTTXYCBSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.08
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)-N-methylhepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-N-methylhepta-2,4-dien-2-amine (CID 89431682) is (2Z,4Z)-N-methylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-methylhepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-N-methylhepta-2,4-dien-2-amine is CC/C=C\C=C(\C)NC.
What is the InChIKey of (2Z,4Z)-N-methylhepta-2,4-dien-2-amine?
The InChIKey is PEQSCZHCGQFOFU-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-7,9H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-N-methylhepta-2,4-dien-2-amine?
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-methylhepta-2,4-dien-2-amine is sourced from PubChem (CID 89431682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).