7-(diethylamino)heptanenitrile

C11H22N2 — CID 3857194

IUPAC7-(diethylamino)heptanenitrile
SMILESCCN(CC)CCCCCCC#N
InChIInChI=1S/C11H22N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-9,11H2,1-2H3
InChIKeyZTWBNXMVYJDZOX-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.80
Rot. Bonds8

About 7-(diethylamino)heptanenitrile

7-(diethylamino)heptanenitrile (PubChem CID 3857194) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 7-(diethylamino)heptanenitrile.

Molecular Properties

Compound Name7-(diethylamino)heptanenitrile
PubChem CID3857194
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name7-(diethylamino)heptanenitrile
SMILESCCN(CC)CCCCCCC#N
InChIInChI=1S/C11H22N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-9,11H2,1-2H3
InChIKeyZTWBNXMVYJDZOX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-(dihexadecylamino)hexadecanenitrile
CID 139661963
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
3-[2-cyanoethyl(hexyl)amino]propanenitrile
CID 16733110
henicosanedinitrile
CID 87345062
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)heptanenitrile?
The IUPAC name of 7-(diethylamino)heptanenitrile (CID 3857194) is 7-(diethylamino)heptanenitrile.
What is the SMILES notation for 7-(diethylamino)heptanenitrile?
The canonical SMILES for 7-(diethylamino)heptanenitrile is CCN(CC)CCCCCCC#N.
What is the InChIKey of 7-(diethylamino)heptanenitrile?
The InChIKey is ZTWBNXMVYJDZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-9,11H2,1-2H3.
What are the key properties of 7-(diethylamino)heptanenitrile?
7-(diethylamino)heptanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)heptanenitrile is sourced from PubChem (CID 3857194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).