N-methyl-3-(2-methylpropyl)oxan-4-amine

C10H21NO — CID 106469078

IUPACN-methyl-3-(2-methylpropyl)oxan-4-amine
SMILESCNC1CCOCC1CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9-7-12-5-4-10(9)11-3/h8-11H,4-7H2,1-3H3
InChIKeyXMIHQZJXNCEKTL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-3-(2-methylpropyl)oxan-4-amine

N-methyl-3-(2-methylpropyl)oxan-4-amine (PubChem CID 106469078) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropyl)oxan-4-amine
PubChem CID106469078
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-3-(2-methylpropyl)oxan-4-amine
SMILESCNC1CCOCC1CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-9-7-12-5-4-10(9)11-3/h8-11H,4-7H2,1-3H3
InChIKeyXMIHQZJXNCEKTL-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-(2-methylpropyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059892
2-chloro-N-[3-(2-methylpropyl)oxan-4-yl]acetamide
CID 146098263
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
N-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 61382234
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
ethanol;N-methyl-2-(2-methylpropyl)cyclopentan-1-amine
CID 71071852
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropyl)oxan-4-amine?
The IUPAC name of N-methyl-3-(2-methylpropyl)oxan-4-amine (CID 106469078) is N-methyl-3-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for N-methyl-3-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for N-methyl-3-(2-methylpropyl)oxan-4-amine is CNC1CCOCC1CC(C)C.
What is the InChIKey of N-methyl-3-(2-methylpropyl)oxan-4-amine?
The InChIKey is XMIHQZJXNCEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-9-7-12-5-4-10(9)11-3/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropyl)oxan-4-amine?
N-methyl-3-(2-methylpropyl)oxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 106469078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).