1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol

C13H27NO2 — CID 65120868

IUPAC1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCCCCCO)C1
InChIInChI=1S/C13H27NO2/c1-12-6-5-7-13(16,10-12)11-14-8-3-2-4-9-15/h12,14-16H,2-11H2,1H3
InChIKeyAGEAHUBHQHCUGP-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds7

About 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol

1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65120868) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65120868
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCCCCCO)C1
InChIInChI=1S/C13H27NO2/c1-12-6-5-7-13(16,10-12)11-14-8-3-2-4-9-15/h12,14-16H,2-11H2,1H3
InChIKeyAGEAHUBHQHCUGP-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol (CID 65120868) is 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCCCCCO)C1.
What is the InChIKey of 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is AGEAHUBHQHCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12-6-5-7-13(16,10-12)11-14-8-3-2-4-9-15/h12,14-16H,2-11H2,1H3.
What are the key properties of 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65120868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).