1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine

C16H22N2 — CID 43778721

IUPAC1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C16H22N2/c1-18(2)16-7-5-15(6-8-16)17-11-14-10-12-3-4-13(14)9-12/h3-8,12-14,17H,9-11H2,1-2H3
InChIKeyUFACRRFNOHFWGS-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.38
Rot. Bonds4

About 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43778721) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43778721
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C16H22N2/c1-18(2)16-7-5-15(6-8-16)17-11-14-10-12-3-4-13(14)9-12/h3-8,12-14,17H,9-11H2,1-2H3
InChIKeyUFACRRFNOHFWGS-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43778721) is 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCC2CC3C=CC2C3)cc1.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is UFACRRFNOHFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18(2)16-7-5-15(6-8-16)17-11-14-10-12-3-4-13(14)9-12/h3-8,12-14,17H,9-11H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43778721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).