N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H26N2O — CID 62842734

IUPACN-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CC2CCC1C2
InChIInChI=1S/C13H26N2O/c1-15(7-8-16-2)6-5-14-13-10-11-3-4-12(13)9-11/h11-14H,3-10H2,1-2H3
InChIKeyCGPRTEGDNHAEJN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62842734) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62842734
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC1CC2CCC1C2
InChIInChI=1S/C13H26N2O/c1-15(7-8-16-2)6-5-14-13-10-11-3-4-12(13)9-11/h11-14H,3-10H2,1-2H3
InChIKeyCGPRTEGDNHAEJN-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62842734) is N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is CGPRTEGDNHAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(7-8-16-2)6-5-14-13-10-11-3-4-12(13)9-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62842734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).