4-methyl-1-(propylaminomethyl)cyclohexan-1-ol

C11H23NO — CID 62775285

IUPAC4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C11H23NO/c1-3-8-12-9-11(13)6-4-10(2)5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyAXYNNTOLCJYNJS-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol

4-methyl-1-(propylaminomethyl)cyclohexan-1-ol (PubChem CID 62775285) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
PubChem CID62775285
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCC(C)CC1
InChIInChI=1S/C11H23NO/c1-3-8-12-9-11(13)6-4-10(2)5-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyAXYNNTOLCJYNJS-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
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-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
4-methyl-1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
CID 114472358
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
4-methyl-1-[(4-methylpentylamino)methyl]cyclohexan-1-ol
CID 79040662
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682
1-[(2-chloroprop-2-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65120996
1-[[[(E)-but-2-enyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 107899031
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
4-methyl-1-[[4-methyl-1-(propylaminomethyl)cyclohexyl]methyl]piperidin-4-ol
CID 81107475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol (CID 62775285) is 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol is CCCNCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol?
The InChIKey is AXYNNTOLCJYNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-8-12-9-11(13)6-4-10(2)5-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol?
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 62775285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).