1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine

C13H25NO — CID 126611621

IUPAC1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCC1CCCCC1CNC[C@H]1CCCO1
InChIInChI=1S/C13H25NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeyWMIOWSSNYJVQGU-WXRRBKDZSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine

1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 126611621) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID126611621
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCC1CCCCC1CNC[C@H]1CCCO1
InChIInChI=1S/C13H25NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeyWMIOWSSNYJVQGU-WXRRBKDZSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107418278
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine (CID 126611621) is 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine is CC1CCCCC1CNC[C@H]1CCCO1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is WMIOWSSNYJVQGU-WXRRBKDZSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3/t11?,12?,13-/m1/s1.
What are the key properties of 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 126611621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).