1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol

C18H29NO2 — CID 101185270

IUPAC1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(N(O)Cc2ccccc2)CCCCC1
InChIInChI=1S/C18H29NO2/c1-15(2)13-17(20)18(11-7-4-8-12-18)19(21)14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17,20-21H,4,7-8,11-14H2,1-2H3
InChIKeyHNSZPRJMGBMPNH-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.99
Rot. Bonds6

About 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol

1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol (PubChem CID 101185270) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol
PubChem CID101185270
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1(N(O)Cc2ccccc2)CCCCC1
InChIInChI=1S/C18H29NO2/c1-15(2)13-17(20)18(11-7-4-8-12-18)19(21)14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17,20-21H,4,7-8,11-14H2,1-2H3
InChIKeyHNSZPRJMGBMPNH-UHFFFAOYSA-N
XLogP3.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
2-(Benzyl-methyl-amino)-cyclohexanol
CID 13816598
2-[(3S,5R)-5-(azidomethyl)-3-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-1,2-oxazolidin-3-yl]ethanol
CID 46175149
2-[(3S,5R)-5-(azidomethyl)-2-benzyl-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol
CID 46882433
(2S)-2-[Bis(phenylmethyl)amino]-3-methyl-1-butanol
CID 10517107
1-Methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
CID 2729780
3-[Benzyl(methyl)amino]-1,1-diphenylpropan-2-ol;hydrochloride
CID 12549049
Ethanol, 2-(N-methyl-N-(1-phenylcyclohexyl)amino)-
CID 56818
1-(Diphenylmethyl)-2,2-dimethylazetidin-3-ol
CID 10378300
(S)-2-(N,N-Dibenzylamino)-3-methylbutanol
CID 13949606
2-(Dibenzylamino)-2-methylpropan-1-ol
CID 67135623
(3S)-1-(Diphenylmethyl)-2,2-dimethyl-3-azetidinol
CID 124409999

Frequently Asked Questions

What is the IUPAC name of 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol (CID 101185270) is 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol is CC(C)CC(O)C1(N(O)Cc2ccccc2)CCCCC1.
What is the InChIKey of 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol?
The InChIKey is HNSZPRJMGBMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-17(20)18(11-7-4-8-12-18)19(21)14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17,20-21H,4,7-8,11-14H2,1-2H3.
What are the key properties of 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol?
1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol is sourced from PubChem (CID 101185270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).