1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol

C15H29NO — CID 113489875

IUPAC1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-15(17,9-7-12)11-16-13(2)10-14-4-3-5-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBBESMULFORHZHP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds5

About 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol

1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 113489875) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID113489875
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CC2CCC2)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-15(17,9-7-12)11-16-13(2)10-14-4-3-5-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBBESMULFORHZHP-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanenitrile
CID 65116354
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
2-[1-[(1-cyclobutylpropan-2-ylamino)methyl]cyclobutyl]ethanol
CID 115894748
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-tert-butyl-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanamide
CID 65116446
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol (CID 113489875) is 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC(C)CC2CCC2)CC1.
What is the InChIKey of 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is BBESMULFORHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-6-8-15(17,9-7-12)11-16-13(2)10-14-4-3-5-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 113489875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).