2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol

C13H27NO — CID 66038908

IUPAC2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-4-8-14-10-13(3,15)12-7-5-6-11(2)9-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyDJSMCWHHXBZQJJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol

2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol (PubChem CID 66038908) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol
PubChem CID66038908
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-4-8-14-10-13(3,15)12-7-5-6-11(2)9-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyDJSMCWHHXBZQJJ-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
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

2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-(3-ethylcyclohexyl)-1-(2-methylpropylamino)propan-2-ol
CID 66037758
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
1-(3-methylcyclohexyl)-2-(propylamino)ethanone
CID 116562801
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
2-methyl-2-piperidin-3-yl-N-propylpropan-1-amine
CID 83199931
2-methyl-2-(3-methylcyclopentyl)propan-1-ol
CID 130126553
3-methyl-2-[(3-methylcyclohexyl)methylidene]-N-propylbutan-1-amine
CID 113247518
2-cyclopropyl-2-ethyl-N-propylbutan-1-amine
CID 104819389

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol?
The IUPAC name of 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol (CID 66038908) is 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol is CCCNCC(C)(O)C1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol?
The InChIKey is DJSMCWHHXBZQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-14-10-13(3,15)12-7-5-6-11(2)9-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol?
2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol is sourced from PubChem (CID 66038908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).