3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile

C16H25N3 — CID 103921686

IUPAC3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
SMILESCCCN(CC)CCNC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H25N3/c1-4-10-19(5-2)11-9-18-14(3)16-8-6-7-15(12-16)13-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3
InChIKeyDNHRWOKEMFKODA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.94
Rot. Bonds8

About 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile

3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile (PubChem CID 103921686) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
PubChem CID103921686
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
SMILESCCCN(CC)CCNC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H25N3/c1-4-10-19(5-2)11-9-18-14(3)16-8-6-7-15(12-16)13-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3
InChIKeyDNHRWOKEMFKODA-UHFFFAOYSA-N
XLogP2.94
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-(2-methoxyethylamino)ethyl]benzonitrile
CID 43756311
2-[1-(3-cyanophenyl)ethylamino]ethylurea
CID 83110158
3-[1-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]benzonitrile
CID 107094098
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910
3-[2-[1-(3-cyanophenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116828
3-[1-[(3-methyl-2-propan-2-ylbutyl)amino]ethyl]benzonitrile
CID 102903956
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
3-[1-(2-cyclopentylethylamino)ethyl]benzonitrile
CID 54931681
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile (CID 103921686) is 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile is CCCN(CC)CCNC(C)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile?
The InChIKey is DNHRWOKEMFKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-10-19(5-2)11-9-18-14(3)16-8-6-7-15(12-16)13-17/h6-8,12,14,18H,4-5,9-11H2,1-3H3.
What are the key properties of 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile?
3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile has a molecular weight of 259.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 103921686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).