6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol

C13H27NO — CID 104537039

IUPAC6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
SMILESCC1(C)CCC(NCCCCCCO)C1
InChIInChI=1S/C13H27NO/c1-13(2)8-7-12(11-13)14-9-5-3-4-6-10-15/h12,14-15H,3-11H2,1-2H3
InChIKeyQXJCQUMDJFRVKM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds7

About 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol

6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol (PubChem CID 104537039) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
PubChem CID104537039
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
SMILESCC1(C)CCC(NCCCCCCO)C1
InChIInChI=1S/C13H27NO/c1-13(2)8-7-12(11-13)14-9-5-3-4-6-10-15/h12,14-15H,3-11H2,1-2H3
InChIKeyQXJCQUMDJFRVKM-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
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

6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-(3,3-dimethylcyclopentyl)-5-hydroxypentanamide
CID 114541453
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
CID 80693376
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol?
The IUPAC name of 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol (CID 104537039) is 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol is CC1(C)CCC(NCCCCCCO)C1.
What is the InChIKey of 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol?
The InChIKey is QXJCQUMDJFRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2)8-7-12(11-13)14-9-5-3-4-6-10-15/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol?
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol is sourced from PubChem (CID 104537039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).