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

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

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Related Compounds

(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-(2,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64761317
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65083762

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).