3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol

C14H27NO — CID 112634164

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCCCC1NC1CC(O)C1(C)C
InChIInChI=1S/C14H27NO/c1-13(2)8-6-5-7-10(13)15-11-9-12(16)14(11,3)4/h10-12,15-16H,5-9H2,1-4H3
InChIKeyITNOIFLOMRUCJY-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.70
Rot. Bonds2

About 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112634164) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112634164
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCCCC1NC1CC(O)C1(C)C
InChIInChI=1S/C14H27NO/c1-13(2)8-6-5-7-10(13)15-11-9-12(16)14(11,3)4/h10-12,15-16H,5-9H2,1-4H3
InChIKeyITNOIFLOMRUCJY-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
CID 79861665
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
2,2-dimethylcyclohexan-1-ol
CID 557637
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
2,2-dimethyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclobutan-1-ol
CID 114629269
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
2,2-dimethyl-N-(3-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 107448611

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 112634164) is 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)CCCCC1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ITNOIFLOMRUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2)8-6-5-7-10(13)15-11-9-12(16)14(11,3)4/h10-12,15-16H,5-9H2,1-4H3.
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112634164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).