trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol

C11H23NO — CID 102730848

IUPACtrans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
SMILESCCCCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyDYRMEAHSAJJJFX-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.07
Rot. Bonds5

About trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol (PubChem CID 102730848) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
PubChem CID102730848
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
SMILESCCCCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyDYRMEAHSAJJJFX-GHMZBOCLSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.07
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

2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol (CID 102730848) is trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol is CCCCCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol?
The InChIKey is DYRMEAHSAJJJFX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol is sourced from PubChem (CID 102730848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).