6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol

C15H31NO — CID 114008759

IUPAC6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
SMILESCC1(C)CCCC(NCCCCCCO)CC1
InChIInChI=1S/C15H31NO/c1-15(2)10-7-8-14(9-11-15)16-12-5-3-4-6-13-17/h14,16-17H,3-13H2,1-2H3
InChIKeyJITCXTVTUKFJSZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.49
Rot. Bonds7

About 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol

6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol (PubChem CID 114008759) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
PubChem CID114008759
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
SMILESCC1(C)CCCC(NCCCCCCO)CC1
InChIInChI=1S/C15H31NO/c1-15(2)10-7-8-14(9-11-15)16-12-5-3-4-6-13-17/h14,16-17H,3-13H2,1-2H3
InChIKeyJITCXTVTUKFJSZ-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(4,4-dimethylcycloheptyl)amino]hexan-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

6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol?
The IUPAC name of 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol (CID 114008759) is 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol is CC1(C)CCCC(NCCCCCCO)CC1.
What is the InChIKey of 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol?
The InChIKey is JITCXTVTUKFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2)10-7-8-14(9-11-15)16-12-5-3-4-6-13-17/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol?
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol is sourced from PubChem (CID 114008759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).