[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol

C13H27NO — CID 123666256

IUPAC[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol
SMILESCCC1CCC(CCNC)CC(CO)C1
InChIInChI=1S/C13H27NO/c1-3-11-4-5-12(6-7-14-2)9-13(8-11)10-15/h11-15H,3-10H2,1-2H3
InChIKeyRMUMWJMYYMIYTL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds5

About [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol

[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol (PubChem CID 123666256) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol.

Molecular Properties

Compound Name[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol
PubChem CID123666256
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol
SMILESCCC1CCC(CCNC)CC(CO)C1
InChIInChI=1S/C13H27NO/c1-3-11-4-5-12(6-7-14-2)9-13(8-11)10-15/h11-15H,3-10H2,1-2H3
InChIKeyRMUMWJMYYMIYTL-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
1,3-diethylcyclopentane
CID 530396
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
3-(3-ethylcyclobutyl)-N-methylpropan-1-amine
CID 169125304
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084
2-[3-(difluoromethoxy)cyclopentyl]-N-methylethanamine
CID 84720014
2-(4-methoxycyclohexyl)-N-methylethanamine
CID 84731947
5-(3-ethylcyclopentyl)-N-methylpentan-2-amine
CID 166803719
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol?
The IUPAC name of [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol (CID 123666256) is [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol.
What is the SMILES notation for [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol?
The canonical SMILES for [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol is CCC1CCC(CCNC)CC(CO)C1.
What is the InChIKey of [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol?
The InChIKey is RMUMWJMYYMIYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-11-4-5-12(6-7-14-2)9-13(8-11)10-15/h11-15H,3-10H2,1-2H3.
What are the key properties of [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol?
[3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-6-[2-(methylamino)ethyl]cycloheptyl]methanol is sourced from PubChem (CID 123666256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).