2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol

C14H29NO — CID 13797511

IUPAC2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(CCCCC1CN(C)C)O
InChIInChI=1S/C14H29NO/c1-4-5-7-10-14(16)11-8-6-9-13(14)12-15(2)3/h13,16H,4-12H2,1-3H3
InChIKeyGGKZEPGIJXCXNP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.40
Rot. Bonds6

About 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol

2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol (PubChem CID 13797511) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol
PubChem CID13797511
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(CCCCC1CN(C)C)O
InChIInChI=1S/C14H29NO/c1-4-5-7-10-14(16)11-8-6-9-13(14)12-15(2)3/h13,16H,4-12H2,1-3H3
InChIKeyGGKZEPGIJXCXNP-UHFFFAOYSA-N
XLogP3.40
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity193

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidinol, 1-butyl-4-cyclohexyl-, hydrochloride
CID 115389
4-Cyclohexyl-1-methylpiperid-4-ol
CID 115390
1-[2-(Dimethylamino)ethyl]cyclohexan-1-ol
CID 70111593
1-[3-(Dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol
CID 174485716
2-[(Dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
1-[3-(Dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 85389805
2-((Dimethylamino)methyl)-1-methylcyclohexanol hydrochloride
CID 3028097
3,9-Dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 541567
2-[(Dimethylamino)methyl]-1-ethylcyclohexan-1-ol
CID 13797507
(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101131923
(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101131926
3-Cyclohexyl-2-methyl-1-piperidin-1-ylpentan-3-ol
CID 10125346

Frequently Asked Questions

What is the IUPAC name of 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol?
The IUPAC name of 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol (CID 13797511) is 2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol.
What is the SMILES notation for 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol?
The canonical SMILES for 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol is CCCCCC1(CCCCC1CN(C)C)O.
What is the InChIKey of 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol?
The InChIKey is GGKZEPGIJXCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-7-10-14(16)11-8-6-9-13(14)12-15(2)3/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol?
2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol is sourced from PubChem (CID 13797511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).