N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H30N2O — CID 55074640

IUPACN-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCCN(CC(C)C)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H30N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h12-16H,4-11H2,1-3H3
InChIKeyGJIGZWOOBAVXIE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds8

About N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 55074640) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID55074640
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCCN(CC(C)C)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H30N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h12-16H,4-11H2,1-3H3
InChIKeyGJIGZWOOBAVXIE-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-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-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 55074640) is N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is CCN(CC(C)C)CC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is GJIGZWOOBAVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13-5-6-13/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55074640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).