trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol

C13H26N2O — CID 102731517

IUPACtrans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@@H]1CCCC[C@H]1O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-11(15-8-4-5-9-15)10-14-12-6-2-3-7-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyOFRXQBQWRLMAMJ-VFRRUGBOSA-N
MW226.36 g/mol
LogP1.36
Rot. Bonds4

About trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol (PubChem CID 102731517) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
PubChem CID102731517
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nametrans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@@H]1CCCC[C@H]1O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-11(15-8-4-5-9-15)10-14-12-6-2-3-7-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m1/s1
InChIKeyOFRXQBQWRLMAMJ-VFRRUGBOSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102734063
trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 102731241
2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 63298849

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol (CID 102731517) is trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol is CC(CN[C@@H]1CCCC[C@H]1O)N1CCCC1.
What is the InChIKey of trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol?
The InChIKey is OFRXQBQWRLMAMJ-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(15-8-4-5-9-15)10-14-12-6-2-3-7-13(12)16/h11-14,16H,2-10H2,1H3/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).