3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol

C15H31NO — CID 115722818

IUPAC3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-11(10-17)12(2)16-14-9-7-6-8-13(14)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyXBEDHLAEGHKCAG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds4

About 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol

3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol (PubChem CID 115722818) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
PubChem CID115722818
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-11(10-17)12(2)16-14-9-7-6-8-13(14)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyXBEDHLAEGHKCAG-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 43224075
2-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 78958691
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-[(2-tert-butylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 78878035
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 43673879
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
3-[(2-tert-butylcyclohexyl)amino]pentanenitrile
CID 62646565
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol (CID 115722818) is 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol is CC(CO)C(C)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol?
The InChIKey is XBEDHLAEGHKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(10-17)12(2)16-14-9-7-6-8-13(14)15(3,4)5/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol?
3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115722818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).