N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine

C18H25N5 — CID 141107243

IUPACN'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine
SMILESNCCCNCCCNc1c[nH]cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H25N5/c19-7-3-8-20-9-4-10-22-18-13-21-11-16(18)15-12-23-17-6-2-1-5-14(15)17/h1-2,5-6,11-13,20-23H,3-4,7-10,19H2
InChIKeyHVQSVGPFGYHISZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds9

About N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine

N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine (PubChem CID 141107243) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine
PubChem CID141107243
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine
SMILESNCCCNCCCNc1c[nH]cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H25N5/c19-7-3-8-20-9-4-10-22-18-13-21-11-16(18)15-12-23-17-6-2-1-5-14(15)17/h1-2,5-6,11-13,20-23H,3-4,7-10,19H2
InChIKeyHVQSVGPFGYHISZ-UHFFFAOYSA-N
XLogP2.90
TPSA81.66 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
CID 141107236
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22728646
(2S)-2-amino-3-(1H-indol-3-yl)propanamide;N,N'-bis(3-aminopropyl)butane-1,4-diamine
CID 18457159
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-(1H-indol-3-yl)aniline
CID 25210227
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine (CID 141107243) is N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine is NCCCNCCCNc1c[nH]cc1-c1c[nH]c2ccccc12.
What is the InChIKey of N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine?
The InChIKey is HVQSVGPFGYHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c19-7-3-8-20-9-4-10-22-18-13-21-11-16(18)15-12-23-17-6-2-1-5-14(15)17/h1-2,5-6,11-13,20-23H,3-4,7-10,19H2.
What are the key properties of N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine?
N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.90, 9 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 141107243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).