4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol

C19H31NO — CID 107151533

IUPAC4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C19H31NO/c1-19(2,3)13-16(21)14-20-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,16-18,20-21H,7-8,11-14H2,1-3H3
InChIKeyOTHQEUNNEZWOGS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.10
Rot. Bonds5

About 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol

4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol (PubChem CID 107151533) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
PubChem CID107151533
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C19H31NO/c1-19(2,3)13-16(21)14-20-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,16-18,20-21H,7-8,11-14H2,1-3H3
InChIKeyOTHQEUNNEZWOGS-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 107412166
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol (CID 107151533) is 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol is CC(C)(C)CC(O)CNC1CCCCC1c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol?
The InChIKey is OTHQEUNNEZWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)13-16(21)14-20-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-6,9-10,16-18,20-21H,7-8,11-14H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol?
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 107151533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).