trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol

C12H23NO — CID 93383696

IUPACtrans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
SMILESO[C@@H]1CCCCC[C@H]1NC1CCCC1
InChIInChI=1S/C12H23NO/c14-12-9-3-1-2-8-11(12)13-10-6-4-5-7-10/h10-14H,1-9H2/t11-,12-/m1/s1
InChIKeyVEWDXEYZZHXEET-VXGBXAGGSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds2

About trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol

trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol (PubChem CID 93383696) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
PubChem CID93383696
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
SMILESO[C@@H]1CCCCC[C@H]1NC1CCCC1
InChIInChI=1S/C12H23NO/c14-12-9-3-1-2-8-11(12)13-10-6-4-5-7-10/h10-14H,1-9H2/t11-,12-/m1/s1
InChIKeyVEWDXEYZZHXEET-VXGBXAGGSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
CID 65083758
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
CID 103562307
2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
CID 131160518
trans-(1S,2S)-2-[(1-oxothian-4-yl)amino]cyclopentan-1-ol
CID 102734094
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol (CID 93383696) is trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol is O[C@@H]1CCCCC[C@H]1NC1CCCC1.
What is the InChIKey of trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol?
The InChIKey is VEWDXEYZZHXEET-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23NO/c14-12-9-3-1-2-8-11(12)13-10-6-4-5-7-10/h10-14H,1-9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol?
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol is sourced from PubChem (CID 93383696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).