2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine

C14H27NO — CID 116522604

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C14H27NO/c1-10-4-5-13(15)11(8-10)9-12-6-7-14(2,3)16-12/h10-13H,4-9,15H2,1-3H3
InChIKeyVICQMMWTNRQIKX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.10
Rot. Bonds2

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 116522604) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID116522604
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C14H27NO/c1-10-4-5-13(15)11(8-10)9-12-6-7-14(2,3)16-12/h10-13H,4-9,15H2,1-3H3
InChIKeyVICQMMWTNRQIKX-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62386076
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 102899052
5-[(2-chloro-5-ethylcyclohexyl)methyl]-2,2-dimethyloxolane
CID 116523345
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 116522625
3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
CID 116525765
4-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 55134788
2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 65281870
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine (CID 116522604) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)C(CC2CCC(C)(C)O2)C1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is VICQMMWTNRQIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-4-5-13(15)11(8-10)9-12-6-7-14(2,3)16-12/h10-13H,4-9,15H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 116522604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).