5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile

C14H20ClN3 — CID 70626867

IUPAC5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile
SMILESN#CC(CCCN)(CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3/c15-13-5-3-12(4-6-13)14(11-18,7-1-9-16)8-2-10-17/h3-6H,1-2,7-10,16-17H2
InChIKeyKNULKOIFSXWLTB-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.58
Rot. Bonds7

About 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile

5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile (PubChem CID 70626867) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile.

Molecular Properties

Compound Name5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile
PubChem CID70626867
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile
SMILESN#CC(CCCN)(CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3/c15-13-5-3-12(4-6-13)14(11-18,7-1-9-16)8-2-10-17/h3-6H,1-2,7-10,16-17H2
InChIKeyKNULKOIFSXWLTB-UHFFFAOYSA-N
XLogP2.58
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile?
The IUPAC name of 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile (CID 70626867) is 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile.
What is the SMILES notation for 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile?
The canonical SMILES for 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile is N#CC(CCCN)(CCCN)c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile?
The InChIKey is KNULKOIFSXWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-13-5-3-12(4-6-13)14(11-18,7-1-9-16)8-2-10-17/h3-6H,1-2,7-10,16-17H2.
What are the key properties of 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile?
5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile has a molecular weight of 265.79 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-aminopropyl)-2-(4-chlorophenyl)pentanenitrile is sourced from PubChem (CID 70626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).