2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile

C14H27N3 — CID 62741850

IUPAC2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
SMILESCCN(CC)CCCNC1CCCCC1C#N
InChIInChI=1S/C14H27N3/c1-3-17(4-2)11-7-10-16-14-9-6-5-8-13(14)12-15/h13-14,16H,3-11H2,1-2H3
InChIKeyKFVFKGHIRQHZMZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds7

About 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile

2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile (PubChem CID 62741850) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
PubChem CID62741850
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
SMILESCCN(CC)CCCNC1CCCCC1C#N
InChIInChI=1S/C14H27N3/c1-3-17(4-2)11-7-10-16-14-9-6-5-8-13(14)12-15/h13-14,16H,3-11H2,1-2H3
InChIKeyKFVFKGHIRQHZMZ-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile (CID 62741850) is 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile is CCN(CC)CCCNC1CCCCC1C#N.
What is the InChIKey of 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile?
The InChIKey is KFVFKGHIRQHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-17(4-2)11-7-10-16-14-9-6-5-8-13(14)12-15/h13-14,16H,3-11H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile?
2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62741850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).