1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile

C12H14N2 — CID 103193954

IUPAC1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile
SMILESCCC1CC1(C#N)c1cccc(N)c1
InChIInChI=1S/C12H14N2/c1-2-9-7-12(9,8-13)10-4-3-5-11(14)6-10/h3-6,9H,2,7,14H2,1H3
InChIKeyDQTZURMQWPGKPB-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.46
Rot. Bonds2

About 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile

1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile (PubChem CID 103193954) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile
PubChem CID103193954
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile
SMILESCCC1CC1(C#N)c1cccc(N)c1
InChIInChI=1S/C12H14N2/c1-2-9-7-12(9,8-13)10-4-3-5-11(14)6-10/h3-6,9H,2,7,14H2,1H3
InChIKeyDQTZURMQWPGKPB-UHFFFAOYSA-N
XLogP2.46
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile (CID 103193954) is 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile is CCC1CC1(C#N)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile?
The InChIKey is DQTZURMQWPGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-9-7-12(9,8-13)10-4-3-5-11(14)6-10/h3-6,9H,2,7,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile?
1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-ethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 103193954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).