1-[(octylamino)methyl]cyclohexan-1-ol

C15H31NO — CID 65106974

IUPAC1-[(octylamino)methyl]cyclohexan-1-ol
SMILESCCCCCCCCNCC1(O)CCCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-10-13-16-14-15(17)11-8-7-9-12-15/h16-17H,2-14H2,1H3
InChIKeyNDIZDVQDVHJOJP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds9

About 1-[(octylamino)methyl]cyclohexan-1-ol

1-[(octylamino)methyl]cyclohexan-1-ol (PubChem CID 65106974) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[(octylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(octylamino)methyl]cyclohexan-1-ol
PubChem CID65106974
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[(octylamino)methyl]cyclohexan-1-ol
SMILESCCCCCCCCNCC1(O)CCCCC1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-10-13-16-14-15(17)11-8-7-9-12-15/h16-17H,2-14H2,1H3
InChIKeyNDIZDVQDVHJOJP-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
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

1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[(hept-6-enylamino)methyl]cycloheptan-1-ol
CID 107006904
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087

Frequently Asked Questions

What is the IUPAC name of 1-[(octylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(octylamino)methyl]cyclohexan-1-ol (CID 65106974) is 1-[(octylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(octylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(octylamino)methyl]cyclohexan-1-ol is CCCCCCCCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(octylamino)methyl]cyclohexan-1-ol?
The InChIKey is NDIZDVQDVHJOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-10-13-16-14-15(17)11-8-7-9-12-15/h16-17H,2-14H2,1H3.
What are the key properties of 1-[(octylamino)methyl]cyclohexan-1-ol?
1-[(octylamino)methyl]cyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(octylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65106974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).