4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine

C14H28N2O — CID 115295410

IUPAC4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
SMILESCC1CCCC(N(C)CC2(N)CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-12-4-3-5-13(10-12)16(2)11-14(15)6-8-17-9-7-14/h12-13H,3-11,15H2,1-2H3
InChIKeyPYMCPRYUDITOEP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds3

About 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine

4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine (PubChem CID 115295410) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
PubChem CID115295410
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
SMILESCC1CCCC(N(C)CC2(N)CCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-12-4-3-5-13(10-12)16(2)11-14(15)6-8-17-9-7-14/h12-13H,3-11,15H2,1-2H3
InChIKeyPYMCPRYUDITOEP-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl-(3-methylcyclohexyl)amino]methyl]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

4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 115295354
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62392028
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264
4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]oxan-4-amine
CID 82740558
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62258330
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
CID 55242439
1-[[cyclopropyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65457489
3-[(3-methylcyclohexyl)methyl]oxolan-3-amine
CID 130596584
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898335

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine?
The IUPAC name of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine (CID 115295410) is 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine?
The canonical SMILES for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine is CC1CCCC(N(C)CC2(N)CCOCC2)C1.
What is the InChIKey of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine?
The InChIKey is PYMCPRYUDITOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-4-3-5-13(10-12)16(2)11-14(15)6-8-17-9-7-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine?
4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 115295410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).