N'-ethyl-N'-phenylethyne-1,2-diamine

C10H12N2 — CID 23517729

IUPACN'-ethyl-N'-phenylethyne-1,2-diamine
SMILESCCN(C#CN)c1ccccc1
InChIInChI=1S/C10H12N2/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,11H2,1H3
InChIKeyBUONYNGLFIVQKA-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.39
Rot. Bonds2

About N'-ethyl-N'-phenylethyne-1,2-diamine

N'-ethyl-N'-phenylethyne-1,2-diamine (PubChem CID 23517729) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-ethyl-N'-phenylethyne-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phenylethyne-1,2-diamine
PubChem CID23517729
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN'-ethyl-N'-phenylethyne-1,2-diamine
SMILESCCN(C#CN)c1ccccc1
InChIInChI=1S/C10H12N2/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,11H2,1H3
InChIKeyBUONYNGLFIVQKA-UHFFFAOYSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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dichloromethane;N,N-diethylaniline
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N,N-dibutylbutan-1-amine;N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenylethyne-1,2-diamine?
The IUPAC name of N'-ethyl-N'-phenylethyne-1,2-diamine (CID 23517729) is N'-ethyl-N'-phenylethyne-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-phenylethyne-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-phenylethyne-1,2-diamine is CCN(C#CN)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenylethyne-1,2-diamine?
The InChIKey is BUONYNGLFIVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,11H2,1H3.
What are the key properties of N'-ethyl-N'-phenylethyne-1,2-diamine?
N'-ethyl-N'-phenylethyne-1,2-diamine has a molecular weight of 160.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenylethyne-1,2-diamine is sourced from PubChem (CID 23517729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).