N-(oxan-4-ylmethyl)cyclopropanamine

C9H17NO — CID 61269370

IUPACN-(oxan-4-ylmethyl)cyclopropanamine
SMILESC1CC(CNC2CC2)CCO1
InChIInChI=1S/C9H17NO/c1-2-9(1)10-7-8-3-5-11-6-4-8/h8-10H,1-7H2
InChIKeySFEIRCQPYYEWEJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds3

About N-(oxan-4-ylmethyl)cyclopropanamine

N-(oxan-4-ylmethyl)cyclopropanamine (PubChem CID 61269370) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cyclopropanamine
PubChem CID61269370
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(oxan-4-ylmethyl)cyclopropanamine
SMILESC1CC(CNC2CC2)CCO1
InChIInChI=1S/C9H17NO/c1-2-9(1)10-7-8-3-5-11-6-4-8/h8-10H,1-7H2
InChIKeySFEIRCQPYYEWEJ-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(oxan-4-ylmethyl)cyclopropanamine (CID 61269370) is N-(oxan-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)cyclopropanamine is C1CC(CNC2CC2)CCO1.
What is the InChIKey of N-(oxan-4-ylmethyl)cyclopropanamine?
The InChIKey is SFEIRCQPYYEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9(1)10-7-8-3-5-11-6-4-8/h8-10H,1-7H2.
What are the key properties of N-(oxan-4-ylmethyl)cyclopropanamine?
N-(oxan-4-ylmethyl)cyclopropanamine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 61269370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).