N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H32N2O — CID 65083027

IUPACN-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2)8-5-6-14(7-9-15)16-10-11-17(3)12-13-18-4/h14,16H,5-13H2,1-4H3
InChIKeyOGKMNGSIGPWECX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 65083027) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID65083027
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2)8-5-6-14(7-9-15)16-10-11-17(3)12-13-18-4/h14,16H,5-13H2,1-4H3
InChIKeyOGKMNGSIGPWECX-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 65083027) is N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC1CCCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is OGKMNGSIGPWECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2)8-5-6-14(7-9-15)16-10-11-17(3)12-13-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 65083027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).