(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine

C9H15N — CID 144538386

IUPAC(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine
SMILESCC(/C=C\CC1CC1)=C/N
InChIInChI=1S/C9H15N/c1-8(7-10)3-2-4-9-5-6-9/h2-3,7,9H,4-6,10H2,1H3/b3-2-,8-7-
InChIKeyVQKXSOXYPWZTSD-BLEQRIPJSA-N
MW137.23 g/mol
LogP2.21
Rot. Bonds3

About (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine

(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine (PubChem CID 144538386) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine
PubChem CID144538386
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine
SMILESCC(/C=C\CC1CC1)=C/N
InChIInChI=1S/C9H15N/c1-8(7-10)3-2-4-9-5-6-9/h2-3,7,9H,4-6,10H2,1H3/b3-2-,8-7-
InChIKeyVQKXSOXYPWZTSD-BLEQRIPJSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.21
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)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine (CID 144538386) is (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine is CC(/C=C\CC1CC1)=C/N.
What is the InChIKey of (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine?
The InChIKey is VQKXSOXYPWZTSD-BLEQRIPJSA-N. The full InChI is InChI=1S/C9H15N/c1-8(7-10)3-2-4-9-5-6-9/h2-3,7,9H,4-6,10H2,1H3/b3-2-,8-7-.
What are the key properties of (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine?
(1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-cyclopropyl-2-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144538386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).