[4-methyl-1-(octylamino)cyclohexyl]methanol

C16H33NO — CID 63476632

IUPAC[4-methyl-1-(octylamino)cyclohexyl]methanol
SMILESCCCCCCCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-13-17-16(14-18)11-9-15(2)10-12-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQYYXYEIMSBYCNR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.88
Rot. Bonds9

About [4-methyl-1-(octylamino)cyclohexyl]methanol

[4-methyl-1-(octylamino)cyclohexyl]methanol (PubChem CID 63476632) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [4-methyl-1-(octylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(octylamino)cyclohexyl]methanol
PubChem CID63476632
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[4-methyl-1-(octylamino)cyclohexyl]methanol
SMILESCCCCCCCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-3-4-5-6-7-8-13-17-16(14-18)11-9-15(2)10-12-16/h15,17-18H,3-14H2,1-2H3
InChIKeyQYYXYEIMSBYCNR-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
CID 65092789
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
6-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709283
[1-(butylamino)cyclohexyl]methanol
CID 62520970
[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
CID 62552501
1-butoxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 107262769
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(octylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(octylamino)cyclohexyl]methanol (CID 63476632) is [4-methyl-1-(octylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(octylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(octylamino)cyclohexyl]methanol is CCCCCCCCNC1(CO)CCC(C)CC1.
What is the InChIKey of [4-methyl-1-(octylamino)cyclohexyl]methanol?
The InChIKey is QYYXYEIMSBYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-4-5-6-7-8-13-17-16(14-18)11-9-15(2)10-12-16/h15,17-18H,3-14H2,1-2H3.
What are the key properties of [4-methyl-1-(octylamino)cyclohexyl]methanol?
[4-methyl-1-(octylamino)cyclohexyl]methanol has a molecular weight of 255.45 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(octylamino)cyclohexyl]methanol is sourced from PubChem (CID 63476632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).