4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol

C14H29NO — CID 79040662

IUPAC4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)5-4-10-15-11-14(16)8-6-13(3)7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUEGWEBZPTIKRDO-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol (PubChem CID 79040662) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
PubChem CID79040662
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)5-4-10-15-11-14(16)8-6-13(3)7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyUEGWEBZPTIKRDO-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
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

4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
CID 114472358
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65120996
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol (CID 79040662) is 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol is CC(C)CCCNCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol?
The InChIKey is UEGWEBZPTIKRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)5-4-10-15-11-14(16)8-6-13(3)7-9-14/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79040662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).