4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol

C18H37NO — CID 63472296

IUPAC4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCCCCCN(C(C)C)C1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H37NO/c1-7-8-9-12-19(14(2)3)16-13-15(18(4,5)6)10-11-17(16)20/h14-17,20H,7-13H2,1-6H3
InChIKeyQSCOQJGTEQOMCV-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.46
Rot. Bonds6

About 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol

4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol (PubChem CID 63472296) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
PubChem CID63472296
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCCCCCN(C(C)C)C1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C18H37NO/c1-7-8-9-12-19(14(2)3)16-13-15(18(4,5)6)10-11-17(16)20/h14-17,20H,7-13H2,1-6H3
InChIKeyQSCOQJGTEQOMCV-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 63700984
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
2-[2-methoxyethyl(propan-2-yl)amino]-4-methylcyclohexan-1-ol
CID 82961110
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
CID 63067972
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
2-N-butyl-4-tert-butyl-2-N-cyclopropylcyclohexane-1,2-diamine
CID 63469947

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol (CID 63472296) is 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol is CCCCCN(C(C)C)C1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is QSCOQJGTEQOMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-8-9-12-19(14(2)3)16-13-15(18(4,5)6)10-11-17(16)20/h14-17,20H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol?
4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 63472296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).