trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol

C9H19NO — CID 102734361

IUPACtrans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
SMILESCCCN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPQXCKJZWRMVOAX-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol (PubChem CID 102734361) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
PubChem CID102734361
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
SMILESCCCN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPQXCKJZWRMVOAX-RKDXNWHRSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
CID 102734813
2-[methyl-[2-(propylamino)ethyl]amino]cyclohexan-1-ol
CID 102636184
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
trans-(1R,2R)-2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 102734359
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 60886759
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol (CID 102734361) is trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol is CCCN(C)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol?
The InChIKey is PQXCKJZWRMVOAX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7-10(2)8-5-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).