trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol

C10H21NO2 — CID 102734703

IUPACtrans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
SMILESCOCCCN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-11(7-4-8-13-2)9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPBTMZOOSOAVXIM-NXEZZACHSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds5

About trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol (PubChem CID 102734703) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
PubChem CID102734703
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametrans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
SMILESCOCCCN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-11(7-4-8-13-2)9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPBTMZOOSOAVXIM-NXEZZACHSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
2-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 63009155
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
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(propyl)amino]cyclopentan-1-ol
CID 102734361
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
2-[3-(3,5-dimethylphenoxy)propyl-methylamino]cyclohexan-1-ol
CID 102636586
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol (CID 102734703) is trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol is COCCCN(C)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol?
The InChIKey is PBTMZOOSOAVXIM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11(7-4-8-13-2)9-5-3-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).