(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine

C10H19NO — CID 131245888

IUPAC(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine
SMILESCOC1(/C=C/C(C)N)CCCC1
InChIInChI=1S/C10H19NO/c1-9(11)5-8-10(12-2)6-3-4-7-10/h5,8-9H,3-4,6-7,11H2,1-2H3/b8-5+
InChIKeyNTDFVZBZSNZNEJ-VMPITWQZSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine

(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine (PubChem CID 131245888) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine
PubChem CID131245888
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine
SMILESCOC1(/C=C/C(C)N)CCCC1
InChIInChI=1S/C10H19NO/c1-9(11)5-8-10(12-2)6-3-4-7-10/h5,8-9H,3-4,6-7,11H2,1-2H3/b8-5+
InChIKeyNTDFVZBZSNZNEJ-VMPITWQZSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Methoxycyclohexa-2,5-dien-1-yl)butan-1-amine
CID 173345543
(E)-3-(1-methoxycyclopentyl)prop-2-en-1-amine
CID 131237417
(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
CID 131237418
(E)-5-methoxy-5-methylhept-3-en-2-amine
CID 131248742

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine (CID 131245888) is (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine is COC1(/C=C/C(C)N)CCCC1.
What is the InChIKey of (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine?
The InChIKey is NTDFVZBZSNZNEJ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(11)5-8-10(12-2)6-3-4-7-10/h5,8-9H,3-4,6-7,11H2,1-2H3/b8-5+.
What are the key properties of (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine?
(E)-4-(1-methoxycyclopentyl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1-methoxycyclopentyl)but-3-en-2-amine is sourced from PubChem (CID 131245888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).