2-[3-(diethylamino)butylamino]benzonitrile

C15H23N3 — CID 23324090

IUPAC2-[3-(diethylamino)butylamino]benzonitrile
SMILESCCN(CC)C(C)CCNc1ccccc1C#N
InChIInChI=1S/C15H23N3/c1-4-18(5-2)13(3)10-11-17-15-9-7-6-8-14(15)12-16/h6-9,13,17H,4-5,10-11H2,1-3H3
InChIKeyIAVZCEMIFQVNNS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds7

About 2-[3-(diethylamino)butylamino]benzonitrile

2-[3-(diethylamino)butylamino]benzonitrile (PubChem CID 23324090) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[3-(diethylamino)butylamino]benzonitrile.

Molecular Properties

Compound Name2-[3-(diethylamino)butylamino]benzonitrile
PubChem CID23324090
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[3-(diethylamino)butylamino]benzonitrile
SMILESCCN(CC)C(C)CCNc1ccccc1C#N
InChIInChI=1S/C15H23N3/c1-4-18(5-2)13(3)10-11-17-15-9-7-6-8-14(15)12-16/h6-9,13,17H,4-5,10-11H2,1-3H3
InChIKeyIAVZCEMIFQVNNS-UHFFFAOYSA-N
XLogP3.09
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23324028
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CID 62269856
3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
CID 140608178
2-[2-[2-(dimethylamino)ethoxy]ethylamino]benzonitrile
CID 114127686
(2R,3R)-N-benzyl-N'-[4-(2-cyanoanilino)-2-methylbutyl]-N-ethyl-2,3-dihydroxybutanediamide
CID 143154273
3-[[2-(2-cyanoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62826763

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)butylamino]benzonitrile?
The IUPAC name of 2-[3-(diethylamino)butylamino]benzonitrile (CID 23324090) is 2-[3-(diethylamino)butylamino]benzonitrile.
What is the SMILES notation for 2-[3-(diethylamino)butylamino]benzonitrile?
The canonical SMILES for 2-[3-(diethylamino)butylamino]benzonitrile is CCN(CC)C(C)CCNc1ccccc1C#N.
What is the InChIKey of 2-[3-(diethylamino)butylamino]benzonitrile?
The InChIKey is IAVZCEMIFQVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18(5-2)13(3)10-11-17-15-9-7-6-8-14(15)12-16/h6-9,13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)butylamino]benzonitrile?
2-[3-(diethylamino)butylamino]benzonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)butylamino]benzonitrile is sourced from PubChem (CID 23324090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).