(4-methylcyclohexyl)-(oxolan-2-yl)methanamine

C12H23NO — CID 65331152

IUPAC(4-methylcyclohexyl)-(oxolan-2-yl)methanamine
SMILESCC1CCC(C(N)C2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h9-12H,2-8,13H2,1H3
InChIKeyFSTYZSUTCMELRU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds2

About (4-methylcyclohexyl)-(oxolan-2-yl)methanamine

(4-methylcyclohexyl)-(oxolan-2-yl)methanamine (PubChem CID 65331152) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(oxolan-2-yl)methanamine
PubChem CID65331152
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4-methylcyclohexyl)-(oxolan-2-yl)methanamine
SMILESCC1CCC(C(N)C2CCCO2)CC1
InChIInChI=1S/C12H23NO/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h9-12H,2-8,13H2,1H3
InChIKeyFSTYZSUTCMELRU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclobutyl-[(2S)-oxolan-2-yl]methanamine
CID 124596085
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
CID 65331148
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 115896540
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
2-amino-2-(oxolan-2-yl)ethanol;hydrochloride
CID 69084455
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
amino-(4-methylcyclohexyl)methanol
CID 89201512
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(oxolan-2-yl)methanamine?
The IUPAC name of (4-methylcyclohexyl)-(oxolan-2-yl)methanamine (CID 65331152) is (4-methylcyclohexyl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)-(oxolan-2-yl)methanamine is CC1CCC(C(N)C2CCCO2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(oxolan-2-yl)methanamine?
The InChIKey is FSTYZSUTCMELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h9-12H,2-8,13H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(oxolan-2-yl)methanamine?
(4-methylcyclohexyl)-(oxolan-2-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65331152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).