2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile

C10H18N2O — CID 14709756

IUPAC2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile
SMILESCN(C)CC1CCCCC1(O)C#N
InChIInChI=1S/C10H18N2O/c1-12(2)7-9-5-3-4-6-10(9,13)8-11/h9,13H,3-7H2,1-2H3
InChIKeyZLMLDCPFPZKPNW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile

2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile (PubChem CID 14709756) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile
PubChem CID14709756
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile
SMILESCN(C)CC1CCCCC1(O)C#N
InChIInChI=1S/C10H18N2O/c1-12(2)7-9-5-3-4-6-10(9,13)8-11/h9,13H,3-7H2,1-2H3
InChIKeyZLMLDCPFPZKPNW-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
2-[(Dimethylamino)methyl]-1-pentylcyclohexan-1-ol
CID 13797511
2-((Dimethylamino)methyl)-1-methylcyclohexanol hydrochloride
CID 3028097
2-[(Dimethylamino)methyl]-1-ethylcyclohexan-1-ol
CID 13797507
1-[(Dimethylamino)methyl]-2-methylcyclohexan-1-ol
CID 22610310
trans-(1S,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 59111656
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 59111657
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 59111658
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 59111659
cis-(1S,2R)-2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol
CID 69399947
trans-(1R,2R)-2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol
CID 69399949
trans-(1S,2S)-2-[(dimethylamino)methyl]-1-pentylcyclohexan-1-ol
CID 69401470

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile (CID 14709756) is 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile is CN(C)CC1CCCCC1(O)C#N.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile?
The InChIKey is ZLMLDCPFPZKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12(2)7-9-5-3-4-6-10(9,13)8-11/h9,13H,3-7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile?
2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 14709756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).