N-(4-prop-2-enoxybutyl)cyclopropanamine

C10H19NO — CID 62442083

IUPACN-(4-prop-2-enoxybutyl)cyclopropanamine
SMILESC=CCOCCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-8-12-9-4-3-7-11-10-5-6-10/h2,10-11H,1,3-9H2
InChIKeyCKDOEKPLKGYUFD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds8

About N-(4-prop-2-enoxybutyl)cyclopropanamine

N-(4-prop-2-enoxybutyl)cyclopropanamine (PubChem CID 62442083) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(4-prop-2-enoxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-prop-2-enoxybutyl)cyclopropanamine
PubChem CID62442083
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(4-prop-2-enoxybutyl)cyclopropanamine
SMILESC=CCOCCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-8-12-9-4-3-7-11-10-5-6-10/h2,10-11H,1,3-9H2
InChIKeyCKDOEKPLKGYUFD-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 N-(4-prop-2-enoxybutyl)cyclopropanamine 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 N-(4-prop-2-enoxybutyl)cyclopropanamine?
The IUPAC name of N-(4-prop-2-enoxybutyl)cyclopropanamine (CID 62442083) is N-(4-prop-2-enoxybutyl)cyclopropanamine.
What is the SMILES notation for N-(4-prop-2-enoxybutyl)cyclopropanamine?
The canonical SMILES for N-(4-prop-2-enoxybutyl)cyclopropanamine is C=CCOCCCCNC1CC1.
What is the InChIKey of N-(4-prop-2-enoxybutyl)cyclopropanamine?
The InChIKey is CKDOEKPLKGYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-8-12-9-4-3-7-11-10-5-6-10/h2,10-11H,1,3-9H2.
What are the key properties of N-(4-prop-2-enoxybutyl)cyclopropanamine?
N-(4-prop-2-enoxybutyl)cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enoxybutyl)cyclopropanamine is sourced from PubChem (CID 62442083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).