(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine

C10H19NO — CID 117267605

IUPAC(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCCO1
InChIInChI=1S/C10H19NO/c1-11-8-4-2-6-10-7-3-5-9-12-10/h2,6,10-11H,3-5,7-9H2,1H3/b6-2-
InChIKeyUDZLMNQHNKZKDQ-KXFIGUGUSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine

(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine (PubChem CID 117267605) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine
PubChem CID117267605
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine
SMILESCNCC/C=C\C1CCCCO1
InChIInChI=1S/C10H19NO/c1-11-8-4-2-6-10-7-3-5-9-12-10/h2,6,10-11H,3-5,7-9H2,1H3/b6-2-
InChIKeyUDZLMNQHNKZKDQ-KXFIGUGUSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine (CID 117267605) is (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine is CNCC/C=C\C1CCCCO1.
What is the InChIKey of (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine?
The InChIKey is UDZLMNQHNKZKDQ-KXFIGUGUSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-8-4-2-6-10-7-3-5-9-12-10/h2,6,10-11H,3-5,7-9H2,1H3/b6-2-.
What are the key properties of (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine?
(Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-(oxan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 117267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).