4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol

C13H27NO — CID 111466545

IUPAC4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)7-13(15)9-14-12-6-4-5-11(3)8-12/h10-15H,4-9H2,1-3H3
InChIKeyWCUTXUXDGZGSFK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol

4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol (PubChem CID 111466545) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
PubChem CID111466545
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(O)CNC1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)7-13(15)9-14-12-6-4-5-11(3)8-12/h10-15H,4-9H2,1-3H3
InChIKeyWCUTXUXDGZGSFK-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 60899512
4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
CID 103698837
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
CID 107151769
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
CID 103917750
1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-(cyclopropylamino)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61447892
N-[2-(3-methylcyclohexyl)oxypropyl]cyclopentanamine
CID 62598845
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol (CID 111466545) is 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol is CC(C)CC(O)CNC1CCCC(C)C1.
What is the InChIKey of 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol?
The InChIKey is WCUTXUXDGZGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-13(15)9-14-12-6-4-5-11(3)8-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol?
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 111466545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).