2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol

C13H25NO2 — CID 62088396

IUPAC2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
SMILESCOC1CCCC1NC1CCCCCC1O
InChIInChI=1S/C13H25NO2/c1-16-13-9-5-7-11(13)14-10-6-3-2-4-8-12(10)15/h10-15H,2-9H2,1H3
InChIKeyWNXLZAQCEWJGTI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds3

About 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol

2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol (PubChem CID 62088396) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
PubChem CID62088396
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
SMILESCOC1CCCC1NC1CCCCCC1O
InChIInChI=1S/C13H25NO2/c1-16-13-9-5-7-11(13)14-10-6-3-2-4-8-12(10)15/h10-15H,2-9H2,1H3
InChIKeyWNXLZAQCEWJGTI-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
N-(2-methoxycyclopentyl)cyclododecanamine
CID 63477774
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
ethane;2-methoxycyclopentan-1-ol
CID 177178786
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484
1-[(2-hydroxycyclopentyl)methyl]-3-(2-methoxycycloheptyl)-1-methylurea
CID 75432538
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
CID 58216275

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol (CID 62088396) is 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol is COC1CCCC1NC1CCCCCC1O.
What is the InChIKey of 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol?
The InChIKey is WNXLZAQCEWJGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-13-9-5-7-11(13)14-10-6-3-2-4-8-12(10)15/h10-15H,2-9H2,1H3.
What are the key properties of 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol?
2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 62088396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).