N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine

C11H21NO — CID 63010671

IUPACN-[(3-ethyloxan-3-yl)methyl]cyclopropanamine
SMILESCCC1(CNC2CC2)CCCOC1
InChIInChI=1S/C11H21NO/c1-2-11(6-3-7-13-9-11)8-12-10-4-5-10/h10,12H,2-9H2,1H3
InChIKeyJFRXVZZYFYOIKA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds4

About N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine

N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine (PubChem CID 63010671) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethyloxan-3-yl)methyl]cyclopropanamine
PubChem CID63010671
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(3-ethyloxan-3-yl)methyl]cyclopropanamine
SMILESCCC1(CNC2CC2)CCCOC1
InChIInChI=1S/C11H21NO/c1-2-11(6-3-7-13-9-11)8-12-10-4-5-10/h10,12H,2-9H2,1H3
InChIKeyJFRXVZZYFYOIKA-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-ethyloxan-3-yl)methyl]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-[(3-ethyloxan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine (CID 63010671) is N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine is CCC1(CNC2CC2)CCCOC1.
What is the InChIKey of N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine?
The InChIKey is JFRXVZZYFYOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(6-3-7-13-9-11)8-12-10-4-5-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine?
N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyloxan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63010671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).