1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol

C13H25NO — CID 115692717

IUPAC1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCC1CCCC(NCC2(O)CCC2)C1C
InChIInChI=1S/C13H25NO/c1-10-5-3-6-12(11(10)2)14-9-13(15)7-4-8-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBWNVRQICWWUCAQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds3

About 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol

1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol (PubChem CID 115692717) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
PubChem CID115692717
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCC1CCCC(NCC2(O)CCC2)C1C
InChIInChI=1S/C13H25NO/c1-10-5-3-6-12(11(10)2)14-9-13(15)7-4-8-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyBWNVRQICWWUCAQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558
2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480950
2,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclohexan-1-amine
CID 80722862
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116763
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115883491
1-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 81345241
4-hydroxy-4-[[(2-methylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499521

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol (CID 115692717) is 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol is CC1CCCC(NCC2(O)CCC2)C1C.
What is the InChIKey of 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is BWNVRQICWWUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-3-6-12(11(10)2)14-9-13(15)7-4-8-13/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol?
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115692717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).