N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine

C28H38N4 — CID 146412397

IUPACN'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine
SMILESNCCCNCCCN(CCCN)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38N4/c29-19-10-21-31-22-12-24-32(23-11-20-30)28(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,13-18,31H,10-12,19-24,29-30H2
InChIKeyLXIMPXZEIDLNNJ-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.96
Rot. Bonds14

About N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine

N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine (PubChem CID 146412397) has the molecular formula C28H38N4 and a molecular weight of 430.64 g/mol. Its IUPAC name is N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine
PubChem CID146412397
Molecular FormulaC28H38N4
Molecular Weight430.64 g/mol
Exact Mass430.31
IUPAC NameN'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine
SMILESNCCCNCCCN(CCCN)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38N4/c29-19-10-21-31-22-12-24-32(23-11-20-30)28(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,13-18,31H,10-12,19-24,29-30H2
InChIKeyLXIMPXZEIDLNNJ-UHFFFAOYSA-N
XLogP3.96
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(ditritylamino)propyl]butane-1,4-diamine
CID 69196848
N'-butyl-N'-tritylheptane-1,7-diamine
CID 163501061
4-[4-[3-aminopropyl(trityl)amino]butylamino]-4-oxobutanoic acid
CID 101161176
N'-[2-[3-aminopropyl(benzhydryl)amino]ethyl]propane-1,3-diamine
CID 172791353
1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
CID 177368261
2-chloro-N-(2-chloroethyl)-N-tritylethanamine
CID 4195463
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
N',N'-dibenzhydrylpropane-1,3-diamine
CID 139912939
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
CID 46896769
3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
CID 22155909
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine (CID 146412397) is N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine is NCCCNCCCN(CCCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine?
The InChIKey is LXIMPXZEIDLNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4/c29-19-10-21-31-22-12-24-32(23-11-20-30)28(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,13-18,31H,10-12,19-24,29-30H2.
What are the key properties of N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine?
N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine has a molecular weight of 430.64 g/mol, XLogP of 3.96, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-aminopropyl(trityl)amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 146412397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).