4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol

C11H23NO — CID 65087135

IUPAC4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
SMILESCNCC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-10(2)5-4-6-11(13,8-7-10)9-12-3/h12-13H,4-9H2,1-3H3
InChIKeyUFQRYIXIWBHJNG-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds2

About 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol

4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol (PubChem CID 65087135) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
PubChem CID65087135
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
SMILESCNCC1(O)CCCC(C)(C)CC1
InChIInChI=1S/C11H23NO/c1-10(2)5-4-6-11(13,8-7-10)9-12-3/h12-13H,4-9H2,1-3H3
InChIKeyUFQRYIXIWBHJNG-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

3,3-dimethyl-1-(methylaminomethyl)cyclopentan-1-ol
CID 80698803
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
1-[[(2,6-dimethylcyclohexyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116763
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
3-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 103253725
1-[(hept-6-enylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 107006902
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
1-[[(3,5-dichlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117143
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol (CID 65087135) is 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol is CNCC1(O)CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol?
The InChIKey is UFQRYIXIWBHJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)5-4-6-11(13,8-7-10)9-12-3/h12-13H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol?
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol is sourced from PubChem (CID 65087135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).