trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol

C13H26N2O — CID 102731045

IUPACtrans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
SMILESCCN1CCC(CN[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H26N2O/c1-2-15-8-7-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyFEOHDFHFKHOGCX-SPOOISQMSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds4

About trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 102731045) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
PubChem CID102731045
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nametrans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
SMILESCCN1CCC(CN[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H26N2O/c1-2-15-8-7-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyFEOHDFHFKHOGCX-SPOOISQMSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 60885885
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 81298398
2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62741870
trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
CID 102731765
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyloxolan-3-amine
CID 115335792
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol (CID 102731045) is trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol is CCN1CCC(CN[C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is FEOHDFHFKHOGCX-SPOOISQMSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15-8-7-11(10-15)9-14-12-5-3-4-6-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).