N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine

C17H17N3 — CID 106571364

IUPACN-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCc1cccc2ccccc12
InChIInChI=1S/C17H17N3/c1-2-11-20-12-10-18-17(20)19-13-15-8-5-7-14-6-3-4-9-16(14)15/h2-10,12H,1,11,13H2,(H,18,19)
InChIKeyINGNYJYXLYEZJQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.83
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine

N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106571364) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106571364
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCc1cccc2ccccc12
InChIInChI=1S/C17H17N3/c1-2-11-20-12-10-18-17(20)19-13-15-8-5-7-14-6-3-4-9-16(14)15/h2-10,12H,1,11,13H2,(H,18,19)
InChIKeyINGNYJYXLYEZJQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine (CID 106571364) is N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is INGNYJYXLYEZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-11-20-12-10-18-17(20)19-13-15-8-5-7-14-6-3-4-9-16(14)15/h2-10,12H,1,11,13H2,(H,18,19).
What are the key properties of N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106571364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).