2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

C10H21NO — CID 3028098

IUPAC2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(C)O
InChIInChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3
InChIKeyNRJYDNYNVGMQJW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (PubChem CID 3028098) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
PubChem CID3028098
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(C)O
InChIInChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3
InChIKeyNRJYDNYNVGMQJW-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (CID 3028098) is 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is CN(C)CC1CCCCC1(C)O.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The InChIKey is NRJYDNYNVGMQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 3028098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).