1-[(decylamino)methyl]-3-methylcyclohexan-1-ol

C18H37NO — CID 65120821

IUPAC1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCCCCCCCCCCNCC1(O)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-14-19-16-18(20)13-11-12-17(2)15-18/h17,19-20H,3-16H2,1-2H3
InChIKeyWRSPJSYUTPMLPN-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.66
Rot. Bonds11

About 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol

1-[(decylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 65120821) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID65120821
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCCCCCCCCCCNCC1(O)CCCC(C)C1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-14-19-16-18(20)13-11-12-17(2)15-18/h17,19-20H,3-16H2,1-2H3
InChIKeyWRSPJSYUTPMLPN-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.66
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-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265
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
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616

Frequently Asked Questions

What is the IUPAC name of 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol (CID 65120821) is 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol is CCCCCCCCCCNCC1(O)CCCC(C)C1.
What is the InChIKey of 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is WRSPJSYUTPMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-14-19-16-18(20)13-11-12-17(2)15-18/h17,19-20H,3-16H2,1-2H3.
What are the key properties of 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(decylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65120821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).