2-[cyclohexyl(pentan-2-yl)amino]ethanol

C13H27NO — CID 107886016

IUPAC2-[cyclohexyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(2)14(10-11-15)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRPAGBUNATSBDKY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds6

About 2-[cyclohexyl(pentan-2-yl)amino]ethanol

2-[cyclohexyl(pentan-2-yl)amino]ethanol (PubChem CID 107886016) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[cyclohexyl(pentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(pentan-2-yl)amino]ethanol
PubChem CID107886016
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[cyclohexyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(2)14(10-11-15)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3
InChIKeyRPAGBUNATSBDKY-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
CID 64696261
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
2-[cyclopropyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047676
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66339424
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(pentan-2-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl(pentan-2-yl)amino]ethanol (CID 107886016) is 2-[cyclohexyl(pentan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl(pentan-2-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl(pentan-2-yl)amino]ethanol is CCCC(C)N(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(pentan-2-yl)amino]ethanol?
The InChIKey is RPAGBUNATSBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-7-12(2)14(10-11-15)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[cyclohexyl(pentan-2-yl)amino]ethanol?
2-[cyclohexyl(pentan-2-yl)amino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(pentan-2-yl)amino]ethanol is sourced from PubChem (CID 107886016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).