2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol

C14H27NO — CID 103562307

IUPAC2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
SMILESCC(C)C1CC(NC2CCCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-10(2)11-8-12(9-11)15-13-6-4-3-5-7-14(13)16/h10-16H,3-9H2,1-2H3
InChIKeyAPRROYCRRADFOV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.70
Rot. Bonds3

About 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol

2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol (PubChem CID 103562307) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
PubChem CID103562307
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
SMILESCC(C)C1CC(NC2CCCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-10(2)11-8-12(9-11)15-13-6-4-3-5-7-14(13)16/h10-16H,3-9H2,1-2H3
InChIKeyAPRROYCRRADFOV-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
CID 107448582
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol (CID 103562307) is 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol is CC(C)C1CC(NC2CCCCCC2O)C1.
What is the InChIKey of 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol?
The InChIKey is APRROYCRRADFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)11-8-12(9-11)15-13-6-4-3-5-7-14(13)16/h10-16H,3-9H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol?
2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 103562307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).