2-(naphthalen-1-ylamino)cycloheptan-1-ol

C17H21NO — CID 60897825

IUPAC2-(naphthalen-1-ylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c19-17-12-3-1-2-10-16(17)18-15-11-6-8-13-7-4-5-9-14(13)15/h4-9,11,16-19H,1-3,10,12H2
InChIKeyOBLPKOUMJPUMIL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.95
Rot. Bonds2

About 2-(naphthalen-1-ylamino)cycloheptan-1-ol

2-(naphthalen-1-ylamino)cycloheptan-1-ol (PubChem CID 60897825) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)cycloheptan-1-ol
PubChem CID60897825
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(naphthalen-1-ylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c19-17-12-3-1-2-10-16(17)18-15-11-6-8-13-7-4-5-9-14(13)15/h4-9,11,16-19H,1-3,10,12H2
InChIKeyOBLPKOUMJPUMIL-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propylcyclohexyl)naphthalen-1-amine
CID 154951720
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259
2-(phthalazin-1-ylamino)cyclohexan-1-ol
CID 62358706
N-naphthalen-1-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853527

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)cycloheptan-1-ol?
The IUPAC name of 2-(naphthalen-1-ylamino)cycloheptan-1-ol (CID 60897825) is 2-(naphthalen-1-ylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(naphthalen-1-ylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(naphthalen-1-ylamino)cycloheptan-1-ol is OC1CCCCCC1Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)cycloheptan-1-ol?
The InChIKey is OBLPKOUMJPUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17-12-3-1-2-10-16(17)18-15-11-6-8-13-7-4-5-9-14(13)15/h4-9,11,16-19H,1-3,10,12H2.
What are the key properties of 2-(naphthalen-1-ylamino)cycloheptan-1-ol?
2-(naphthalen-1-ylamino)cycloheptan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)cycloheptan-1-ol is sourced from PubChem (CID 60897825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).