2-(dicyclohexylamino)but-2-enenitrile

C16H26N2 — CID 67454073

IUPAC2-(dicyclohexylamino)but-2-enenitrile
SMILESCC=C(C#N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,15-16H,3-12H2,1H3
InChIKeyHYZAXDOXIYESHW-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.38
Rot. Bonds3

About 2-(dicyclohexylamino)but-2-enenitrile

2-(dicyclohexylamino)but-2-enenitrile (PubChem CID 67454073) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(dicyclohexylamino)but-2-enenitrile.

Molecular Properties

Compound Name2-(dicyclohexylamino)but-2-enenitrile
PubChem CID67454073
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(dicyclohexylamino)but-2-enenitrile
SMILESCC=C(C#N)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,15-16H,3-12H2,1H3
InChIKeyHYZAXDOXIYESHW-UHFFFAOYSA-N
XLogP4.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
cyclobutyl(methyl)cyanamide
CID 54415728
1,1,3,3-tetracyclohexylselenourea
CID 134917279
1,1,3,3-tetracyclohexylthiourea
CID 12935848
(E)-2-[amino(cyclohexyl)amino]-3-(3-amino-2-methoxyphenyl)prop-2-enenitrile
CID 174199698
N-cyclohexylacetohydrazide
CID 89012430
1,1-dicyclopentyl-2-methylguanidine
CID 68865580
N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
CID 13496257
2-amino-2-(dicyclohexylamino)acetonitrile
CID 67894602
N-ethynyl-N-methylcyclohexanamine
CID 69362530
CID 87476940
CID 87476940
1,1,3,3-tetracyclopentylguanidine
CID 68836452

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclohexylamino)but-2-enenitrile?
The IUPAC name of 2-(dicyclohexylamino)but-2-enenitrile (CID 67454073) is 2-(dicyclohexylamino)but-2-enenitrile.
What is the SMILES notation for 2-(dicyclohexylamino)but-2-enenitrile?
The canonical SMILES for 2-(dicyclohexylamino)but-2-enenitrile is CC=C(C#N)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylamino)but-2-enenitrile?
The InChIKey is HYZAXDOXIYESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2,15-16H,3-12H2,1H3.
What are the key properties of 2-(dicyclohexylamino)but-2-enenitrile?
2-(dicyclohexylamino)but-2-enenitrile has a molecular weight of 246.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylamino)but-2-enenitrile is sourced from PubChem (CID 67454073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).