trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol

C13H27NO — CID 102905272

IUPACtrans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
SMILESCC(C)C(CN[C@H]1CCC[C@@H]1O)C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)11(10(3)4)8-14-12-6-5-7-13(12)15/h9-15H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyMVJMEUGKURLLKB-STQMWFEESA-N
MW213.37 g/mol
LogP2.42
Rot. Bonds5

About trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol (PubChem CID 102905272) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
PubChem CID102905272
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Nametrans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
SMILESCC(C)C(CN[C@H]1CCC[C@@H]1O)C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)11(10(3)4)8-14-12-6-5-7-13(12)15/h9-15H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyMVJMEUGKURLLKB-STQMWFEESA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102734063
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731666
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
CID 102731517
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol (CID 102905272) is trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol is CC(C)C(CN[C@H]1CCC[C@@H]1O)C(C)C.
What is the InChIKey of trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol?
The InChIKey is MVJMEUGKURLLKB-STQMWFEESA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)11(10(3)4)8-14-12-6-5-7-13(12)15/h9-15H,5-8H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol has a molecular weight of 213.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102905272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).