N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine

C13H24N2 — CID 2846063

IUPACN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CC2C=CC1C2
InChIInChI=1S/C13H24N2/c1-14(2)6-7-15(3)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,6-10H2,1-3H3
InChIKeyGHRVLKSXCNMHCF-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.69
Rot. Bonds5

About N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 2846063) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID2846063
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1CC2C=CC1C2
InChIInChI=1S/C13H24N2/c1-14(2)6-7-15(3)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,6-10H2,1-3H3
InChIKeyGHRVLKSXCNMHCF-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 2846063) is N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1CC2C=CC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GHRVLKSXCNMHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-14(2)6-7-15(3)10-13-9-11-4-5-12(13)8-11/h4-5,11-13H,6-10H2,1-3H3.
What are the key properties of N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 2846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).