dipentylcyanamide

C11H22N2 — CID 3084648

IUPACdipentylcyanamide
SMILESCCCCCN(C#N)CCCCC
InChIInChI=1S/C11H22N2/c1-3-5-7-9-13(11-12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyOFRCZCKKTQOAIL-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.15
Rot. Bonds8

About dipentylcyanamide

dipentylcyanamide (PubChem CID 3084648) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is dipentylcyanamide.

Molecular Properties

Compound Namedipentylcyanamide
PubChem CID3084648
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namedipentylcyanamide
SMILESCCCCCN(C#N)CCCCC
InChIInChI=1S/C11H22N2/c1-3-5-7-9-13(11-12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyOFRCZCKKTQOAIL-UHFFFAOYSA-N
XLogP3.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

7-[cyano-[(4S)-4-hydroxynonyl]amino]heptanoic acid
CID 129388704
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
5-bromopentyl(ethyl)cyanamide
CID 100998042
2-[cyanomethyl(pentyl)amino]acetonitrile
CID 88709029
2-[4-[cyano(4-hydroxynonyl)amino]butoxy]acetic acid
CID 88835857
hexane;tetrahydrate
CID 174107213
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
3-[2-cyanoethyl(hexyl)amino]propanenitrile
CID 16733110
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898

Frequently Asked Questions

What is the IUPAC name of dipentylcyanamide?
The IUPAC name of dipentylcyanamide (CID 3084648) is dipentylcyanamide.
What is the SMILES notation for dipentylcyanamide?
The canonical SMILES for dipentylcyanamide is CCCCCN(C#N)CCCCC.
What is the InChIKey of dipentylcyanamide?
The InChIKey is OFRCZCKKTQOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-7-9-13(11-12)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of dipentylcyanamide?
dipentylcyanamide has a molecular weight of 182.31 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipentylcyanamide is sourced from PubChem (CID 3084648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).