N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine

C13H26N2O — CID 82744259

IUPACN-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
SMILESCC1CCC(N)C(CN(C)C2CCOC2)C1
InChIInChI=1S/C13H26N2O/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyBSLHHZHRWVEHTB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds3

About N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine

N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine (PubChem CID 82744259) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
PubChem CID82744259
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
SMILESCC1CCC(N)C(CN(C)C2CCOC2)C1
InChIInChI=1S/C13H26N2O/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3
InChIKeyBSLHHZHRWVEHTB-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 82754506
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
CID 62615918
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]oxolan-3-amine
CID 82739455
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62386076
N,N-dimethyl-3-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 143952966
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744252
N-butyl-N-methyloxolan-3-amine
CID 154189060

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine (CID 82744259) is N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine is CC1CCC(N)C(CN(C)C2CCOC2)C1.
What is the InChIKey of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is BSLHHZHRWVEHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-3-4-13(14)11(7-10)8-15(2)12-5-6-16-9-12/h10-13H,3-9,14H2,1-2H3.
What are the key properties of N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine?
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82744259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).