2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H31NO2 — CID 102871126

IUPAC2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)C(CN(CCCO)C2CCC2)C1
InChIInChI=1S/C16H31NO2/c1-16(2)8-7-15(19)13(11-16)12-17(9-4-10-18)14-5-3-6-14/h13-15,18-19H,3-12H2,1-2H3
InChIKeyHGVAIRHGFUSEMY-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.41
Rot. Bonds6

About 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 102871126) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID102871126
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)C(CN(CCCO)C2CCC2)C1
InChIInChI=1S/C16H31NO2/c1-16(2)8-7-15(19)13(11-16)12-17(9-4-10-18)14-5-3-6-14/h13-15,18-19H,3-12H2,1-2H3
InChIKeyHGVAIRHGFUSEMY-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 62610274
2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 107871182
4,4-dimethyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
CID 112665066
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79378005
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
CID 82405792
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708698
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62610271
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 102871126) is 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)C(CN(CCCO)C2CCC2)C1.
What is the InChIKey of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is HGVAIRHGFUSEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2)8-7-15(19)13(11-16)12-17(9-4-10-18)14-5-3-6-14/h13-15,18-19H,3-12H2,1-2H3.
What are the key properties of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 102871126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).