trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol

C13H25NO — CID 102734787

IUPACtrans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
SMILESCCC1CCCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-4-9-14(10-8-11)12-6-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyQSMGKFPVKLCZTR-VFRRUGBOSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds2

About trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol (PubChem CID 102734787) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
PubChem CID102734787
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
SMILESCCC1CCCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C13H25NO/c1-2-11-5-4-9-14(10-8-11)12-6-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyQSMGKFPVKLCZTR-VFRRUGBOSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420102
1-[(1R,2R)-2-hydroxycyclopentyl]piperidin-4-ol
CID 102734322
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
trans-(1S,2S)-2-(4-ethoxypiperidin-1-yl)cyclopentan-1-ol
CID 102734432
2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 61420857

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol (CID 102734787) is trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol is CCC1CCCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol?
The InChIKey is QSMGKFPVKLCZTR-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-11-5-4-9-14(10-8-11)12-6-3-7-13(12)15/h11-13,15H,2-10H2,1H3/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).