3-(2-azidophenyl)-N-ethylpropan-1-amine

C11H16N4 — CID 11790330

IUPAC3-(2-azidophenyl)-N-ethylpropan-1-amine
SMILESCCNCCCc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C11H16N4/c1-2-13-9-5-7-10-6-3-4-8-11(10)14-15-12/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyPVHZRNKRKRTPEM-UHFFFAOYSA-N
MW204.28 g/mol
LogP3.17
Rot. Bonds6

About 3-(2-azidophenyl)-N-ethylpropan-1-amine

3-(2-azidophenyl)-N-ethylpropan-1-amine (PubChem CID 11790330) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(2-azidophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-azidophenyl)-N-ethylpropan-1-amine
PubChem CID11790330
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-(2-azidophenyl)-N-ethylpropan-1-amine
SMILESCCNCCCc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C11H16N4/c1-2-13-9-5-7-10-6-3-4-8-11(10)14-15-12/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyPVHZRNKRKRTPEM-UHFFFAOYSA-N
XLogP3.17
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

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CID 121416300
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1-azido-2-(3-benzylsulfanylpropyl)benzene
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2-azido-N-(2-ethylphenyl)benzamide
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N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
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2-[(2-azidophenyl)methyl]benzotriazole
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CID 62603094

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2-azidophenyl)-N-ethylpropan-1-amine (CID 11790330) is 3-(2-azidophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2-azidophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2-azidophenyl)-N-ethylpropan-1-amine is CCNCCCc1ccccc1N=[N+]=[N-].
What is the InChIKey of 3-(2-azidophenyl)-N-ethylpropan-1-amine?
The InChIKey is PVHZRNKRKRTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-13-9-5-7-10-6-3-4-8-11(10)14-15-12/h3-4,6,8,13H,2,5,7,9H2,1H3.
What are the key properties of 3-(2-azidophenyl)-N-ethylpropan-1-amine?
3-(2-azidophenyl)-N-ethylpropan-1-amine has a molecular weight of 204.28 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 11790330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).