N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine

C10H22N2O — CID 94435022

IUPACN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyCLQCBJYFRWPXGY-ZJUUUORDSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds4

About N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine

N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine (PubChem CID 94435022) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
PubChem CID94435022
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1
InChIKeyCLQCBJYFRWPXGY-ZJUUUORDSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-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 N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine (CID 94435022) is N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)C[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is CLQCBJYFRWPXGY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)12(3)7-10-5-4-9(6-11)13-10/h8-10H,4-7,11H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine?
N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 94435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).