[1-[(pentylamino)methyl]cyclohexyl]methanol

C13H27NO — CID 81411787

IUPAC[1-[(pentylamino)methyl]cyclohexyl]methanol
SMILESCCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h14-15H,2-12H2,1H3
InChIKeyGPHWLXARYDJUEH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds7

About [1-[(pentylamino)methyl]cyclohexyl]methanol

[1-[(pentylamino)methyl]cyclohexyl]methanol (PubChem CID 81411787) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[(pentylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(pentylamino)methyl]cyclohexyl]methanol
PubChem CID81411787
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[(pentylamino)methyl]cyclohexyl]methanol
SMILESCCCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h14-15H,2-12H2,1H3
InChIKeyGPHWLXARYDJUEH-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of [1-[(pentylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(pentylamino)methyl]cyclohexyl]methanol (CID 81411787) is [1-[(pentylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(pentylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(pentylamino)methyl]cyclohexyl]methanol is CCCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(pentylamino)methyl]cyclohexyl]methanol?
The InChIKey is GPHWLXARYDJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-[(pentylamino)methyl]cyclohexyl]methanol?
[1-[(pentylamino)methyl]cyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pentylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81411787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).