1,3-dimethyl-6-(methylamino)cycloheptan-1-ol

C10H21NO — CID 163998697

IUPAC1,3-dimethyl-6-(methylamino)cycloheptan-1-ol
SMILESCNC1CCC(C)CC(C)(O)C1
InChIInChI=1S/C10H21NO/c1-8-4-5-9(11-3)7-10(2,12)6-8/h8-9,11-12H,4-7H2,1-3H3
InChIKeyPCHHDQMFDDCMFB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds1

About 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol

1,3-dimethyl-6-(methylamino)cycloheptan-1-ol (PubChem CID 163998697) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name1,3-dimethyl-6-(methylamino)cycloheptan-1-ol
PubChem CID163998697
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1,3-dimethyl-6-(methylamino)cycloheptan-1-ol
SMILESCNC1CCC(C)CC(C)(O)C1
InChIInChI=1S/C10H21NO/c1-8-4-5-9(11-3)7-10(2,12)6-8/h8-9,11-12H,4-7H2,1-3H3
InChIKeyPCHHDQMFDDCMFB-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
N,4-dimethylcyclohexan-1-amine;hydrochloride
CID 18472520
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
N,8-dimethylspiro[4.5]decan-3-amine
CID 164846336
2,5-dimethylcyclohexane-1,1-diol
CID 147718738
cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
CID 55288298
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
(1S,2S,5R)-1,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 11062803
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
1-methyl-2-(4-methylcyclohexyl)hydrazine
CID 90998686
3-methylbicyclo[3.3.3]undecan-3-ol
CID 18336100
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol?
The IUPAC name of 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol (CID 163998697) is 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol.
What is the SMILES notation for 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol?
The canonical SMILES for 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol is CNC1CCC(C)CC(C)(O)C1.
What is the InChIKey of 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol?
The InChIKey is PCHHDQMFDDCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-5-9(11-3)7-10(2,12)6-8/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol?
1,3-dimethyl-6-(methylamino)cycloheptan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(methylamino)cycloheptan-1-ol is sourced from PubChem (CID 163998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).