4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine

C15H22N2 — CID 43115419

IUPAC4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H22N2/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3
InChIKeySIEWNIIRCZJXKM-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.51
Rot. Bonds3

About 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine

4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine (PubChem CID 43115419) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
PubChem CID43115419
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H22N2/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3
InChIKeySIEWNIIRCZJXKM-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine (CID 43115419) is 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine is CC(Nc1ccc(N)cc1)C1CC2CCC1C2.
What is the InChIKey of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine?
The InChIKey is SIEWNIIRCZJXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3.
What are the key properties of 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine?
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine has a molecular weight of 230.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 43115419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).