5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile

C15H23N3 — CID 18789771

IUPAC5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile
SMILESCCC(C#N)(CCCNCCN)c1ccccc1
InChIInChI=1S/C15H23N3/c1-2-15(13-17,9-6-11-18-12-10-16)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9-12,16H2,1H3
InChIKeyHMQWYJOSMCDSCO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.19
Rot. Bonds8

About 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile

5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile (PubChem CID 18789771) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile
PubChem CID18789771
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile
SMILESCCC(C#N)(CCCNCCN)c1ccccc1
InChIInChI=1S/C15H23N3/c1-2-15(13-17,9-6-11-18-12-10-16)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9-12,16H2,1H3
InChIKeyHMQWYJOSMCDSCO-UHFFFAOYSA-N
XLogP2.19
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-propylpentanenitrile
CID 12754193
2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
CID 101138929
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile
CID 70626867
3,3,3-triphenylpropan-1-amine
CID 10125450
2-[3-(2-aminoethylamino)propyl]-4-methyl-2-(2-methyl-1-tritylsulfanylpropyl)-3-tritylsulfanylpentanamide
CID 140985807
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
5-amino-2-phenyl-2-propan-2-ylpentanenitrile
CID 22443873
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
CID 21320523
4-(4-aminophenyl)-4-cyanohexanoic acid
CID 22921469
1-amino-3-phenylpentan-3-ol
CID 79006155

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile?
The IUPAC name of 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile (CID 18789771) is 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile.
What is the SMILES notation for 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile?
The canonical SMILES for 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile is CCC(C#N)(CCCNCCN)c1ccccc1.
What is the InChIKey of 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile?
The InChIKey is HMQWYJOSMCDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-15(13-17,9-6-11-18-12-10-16)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9-12,16H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile?
5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-ethyl-2-phenylpentanenitrile is sourced from PubChem (CID 18789771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).