N-(2-azidoethyl)-N-ethylnaphthalen-1-amine

C14H16N4 — CID 63462242

IUPACN-(2-azidoethyl)-N-ethylnaphthalen-1-amine
SMILESCCN(CCN=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C14H16N4/c1-2-18(11-10-16-17-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3
InChIKeyMFUFXSIIWYPVHO-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.98
Rot. Bonds5

About N-(2-azidoethyl)-N-ethylnaphthalen-1-amine

N-(2-azidoethyl)-N-ethylnaphthalen-1-amine (PubChem CID 63462242) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-azidoethyl)-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-azidoethyl)-N-ethylnaphthalen-1-amine
PubChem CID63462242
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-(2-azidoethyl)-N-ethylnaphthalen-1-amine
SMILESCCN(CCN=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C14H16N4/c1-2-18(11-10-16-17-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3
InChIKeyMFUFXSIIWYPVHO-UHFFFAOYSA-N
XLogP3.98
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-N-ethylnaphthalen-1-amine?
The IUPAC name of N-(2-azidoethyl)-N-ethylnaphthalen-1-amine (CID 63462242) is N-(2-azidoethyl)-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-(2-azidoethyl)-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-(2-azidoethyl)-N-ethylnaphthalen-1-amine is CCN(CCN=[N+]=[N-])c1cccc2ccccc12.
What is the InChIKey of N-(2-azidoethyl)-N-ethylnaphthalen-1-amine?
The InChIKey is MFUFXSIIWYPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-18(11-10-16-17-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3.
What are the key properties of N-(2-azidoethyl)-N-ethylnaphthalen-1-amine?
N-(2-azidoethyl)-N-ethylnaphthalen-1-amine has a molecular weight of 240.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-N-ethylnaphthalen-1-amine is sourced from PubChem (CID 63462242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).