2-[1-(dimethylamino)undecyl]cyclohexan-1-ol

C19H39NO — CID 70635932

IUPAC2-[1-(dimethylamino)undecyl]cyclohexan-1-ol
SMILESCCCCCCCCCCC(C1CCCCC1O)N(C)C
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-15-18(20(2)3)17-14-12-13-16-19(17)21/h17-19,21H,4-16H2,1-3H3
InChIKeyIWZAPYDGBFCIQH-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.00
Rot. Bonds11

About 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol

2-[1-(dimethylamino)undecyl]cyclohexan-1-ol (PubChem CID 70635932) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(dimethylamino)undecyl]cyclohexan-1-ol
PubChem CID70635932
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-[1-(dimethylamino)undecyl]cyclohexan-1-ol
SMILESCCCCCCCCCCC(C1CCCCC1O)N(C)C
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-15-18(20(2)3)17-14-12-13-16-19(17)21/h17-19,21H,4-16H2,1-3H3
InChIKeyIWZAPYDGBFCIQH-UHFFFAOYSA-N
XLogP5.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 55.00
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

(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine
CID 134258073
trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
CID 101119918
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
CID 123242548
13-pentylpentacosane
CID 91804884
17-pentadecyltritriacontane
CID 173257606
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol (CID 70635932) is 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol is CCCCCCCCCCC(C1CCCCC1O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol?
The InChIKey is IWZAPYDGBFCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-15-18(20(2)3)17-14-12-13-16-19(17)21/h17-19,21H,4-16H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol?
2-[1-(dimethylamino)undecyl]cyclohexan-1-ol has a molecular weight of 297.53 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)undecyl]cyclohexan-1-ol is sourced from PubChem (CID 70635932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).