(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine

C8H15N — CID 144719096

IUPAC(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C/NC)CC
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,6-7,9H,5H2,1-3H3/b6-4-,8-7-
InChIKeyQHPCSMWAZHDLDW-MOIRPGTBSA-N
MW125.21 g/mol
LogP2.08
Rot. Bonds3

About (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine

(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine (PubChem CID 144719096) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
PubChem CID144719096
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C(=C/NC)CC
InChIInChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,6-7,9H,5H2,1-3H3/b6-4-,8-7-
InChIKeyQHPCSMWAZHDLDW-MOIRPGTBSA-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 (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine (CID 144719096) is (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine is C/C=C\C(=C/NC)CC.
What is the InChIKey of (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine?
The InChIKey is QHPCSMWAZHDLDW-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(5-2)7-9-3/h4,6-7,9H,5H2,1-3H3/b6-4-,8-7-.
What are the key properties of (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine?
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-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 (1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144719096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).