3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol

C14H29NO — CID 115723127

IUPAC3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-5-12(7-9-16)15-13-6-8-14(3,4)10-11(13)2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyMQXKJIOTECSYQJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol

3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol (PubChem CID 115723127) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
PubChem CID115723127
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-5-12(7-9-16)15-13-6-8-14(3,4)10-11(13)2/h11-13,15-16H,5-10H2,1-4H3
InChIKeyMQXKJIOTECSYQJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
3-(cyclopropylamino)pentan-1-ol
CID 83815190
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
CID 102672340
3-[(2,2-dimethylcyclopentyl)amino]pentan-1-ol
CID 115723124
2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
CID 103267745
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol (CID 115723127) is 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol is CCC(CCO)NC1CCC(C)(C)CC1C.
What is the InChIKey of 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is MQXKJIOTECSYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(7-9-16)15-13-6-8-14(3,4)10-11(13)2/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol?
3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 115723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).