N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C13H26N2 — CID 43179796

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(NCCN(C)C)C1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-10(14-6-7-15(2)3)13-9-11-4-5-12(13)8-11/h10-14H,4-9H2,1-3H3
InChIKeyWVXSEYPJQCEOAF-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43179796) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43179796
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCC(NCCN(C)C)C1CC2CCC1C2
InChIInChI=1S/C13H26N2/c1-10(14-6-7-15(2)3)13-9-11-4-5-12(13)8-11/h10-14H,4-9H2,1-3H3
InChIKeyWVXSEYPJQCEOAF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 43179796) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine is CC(NCCN(C)C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WVXSEYPJQCEOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(14-6-7-15(2)3)13-9-11-4-5-12(13)8-11/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).