trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol

C12H25NO — CID 102733877

IUPACtrans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
SMILESCC(C)CCCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-10(2)6-3-4-9-13-11-7-5-8-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyXFNJVRQTJFYNTJ-VXGBXAGGSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds6

About trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol (PubChem CID 102733877) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
PubChem CID102733877
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
SMILESCC(C)CCCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-10(2)6-3-4-9-13-11-7-5-8-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyXFNJVRQTJFYNTJ-VXGBXAGGSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
trans-(1R,2R)-2-[(5-hydroxy-4-methylpentyl)amino]cyclopentan-1-ol
CID 106159975
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol (CID 102733877) is trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol is CC(C)CCCCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol?
The InChIKey is XFNJVRQTJFYNTJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)6-3-4-9-13-11-7-5-8-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).