N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine

C14H27NO — CID 116521368

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CCC(C)(C)O2)CCCCC1
InChIInChI=1S/C14H27NO/c1-13(2)10-7-12(16-13)11-15-14(3)8-5-4-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyRZVJBMMOMUSJNV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds3

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 116521368) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
PubChem CID116521368
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CCC(C)(C)O2)CCCCC1
InChIInChI=1S/C14H27NO/c1-13(2)10-7-12(16-13)11-15-14(3)8-5-4-6-9-14/h12,15H,4-11H2,1-3H3
InChIKeyRZVJBMMOMUSJNV-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-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-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
5-[[(1-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244866
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
CID 116521506

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine (CID 116521368) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine is CC1(NCC2CCC(C)(C)O2)CCCCC1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is RZVJBMMOMUSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2)10-7-12(16-13)11-15-14(3)8-5-4-6-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 116521368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).