4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile

C9H15N3 — CID 89367370

IUPAC4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile
SMILESCCN(N)C1=CCC(C#N)CC1
InChIInChI=1S/C9H15N3/c1-2-12(11)9-5-3-8(7-10)4-6-9/h5,8H,2-4,6,11H2,1H3
InChIKeyPRKQDBLOVXVPJN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds2

About 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile

4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile (PubChem CID 89367370) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile
PubChem CID89367370
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile
SMILESCCN(N)C1=CCC(C#N)CC1
InChIInChI=1S/C9H15N3/c1-2-12(11)9-5-3-8(7-10)4-6-9/h5,8H,2-4,6,11H2,1H3
InChIKeyPRKQDBLOVXVPJN-UHFFFAOYSA-N
XLogP1.39
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile (CID 89367370) is 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile is CCN(N)C1=CCC(C#N)CC1.
What is the InChIKey of 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile?
The InChIKey is PRKQDBLOVXVPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-12(11)9-5-3-8(7-10)4-6-9/h5,8H,2-4,6,11H2,1H3.
What are the key properties of 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile?
4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(ethyl)amino]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 89367370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).