N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine

C21H32N4 — CID 172791353

IUPACN'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine
SMILESNCCCNCCN(CCCN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H32N4/c22-13-7-15-24-16-18-25(17-8-14-23)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18,22-23H2
InChIKeyPPNZWMRWWIBBOS-UHFFFAOYSA-N
MW340.52 g/mol
LogP2.37
Rot. Bonds12

About N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine

N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine (PubChem CID 172791353) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine
PubChem CID172791353
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC NameN'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine
SMILESNCCCNCCN(CCCN)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H32N4/c22-13-7-15-24-16-18-25(17-8-14-23)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18,22-23H2
InChIKeyPPNZWMRWWIBBOS-UHFFFAOYSA-N
XLogP2.37
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dibenzhydrylpropane-1,3-diamine
CID 139912939
N'-(2-amino-2-phenylethyl)propane-1,3-diamine
CID 102078830
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine
CID 146412397
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879
1-N-(4-aminobutyl)-3-N,3-N-dibenzyl-4-phenylbutane-1,3-diamine
CID 18512680
1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
CID 174924471
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
CID 46896769
N'-[3-(ditritylamino)propyl]butane-1,4-diamine
CID 69196848
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine (CID 172791353) is N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine is NCCCNCCN(CCCN)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine?
The InChIKey is PPNZWMRWWIBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c22-13-7-15-24-16-18-25(17-8-14-23)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18,22-23H2.
What are the key properties of N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine?
N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine has a molecular weight of 340.52 g/mol, XLogP of 2.37, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 172791353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).