N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine

C19H27N5 — CID 141107236

IUPACN-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
SMILESNCCNCCCCCNc1c[nH]cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H27N5/c20-8-11-21-9-4-1-5-10-23-19-14-22-12-17(19)16-13-24-18-7-3-2-6-15(16)18/h2-3,6-7,12-14,21-24H,1,4-5,8-11,20H2
InChIKeyBPXUDWJTXQWFIX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.29
Rot. Bonds10

About N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine

N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine (PubChem CID 141107236) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
PubChem CID141107236
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine
SMILESNCCNCCCCCNc1c[nH]cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H27N5/c20-8-11-21-9-4-1-5-10-23-19-14-22-12-17(19)16-13-24-18-7-3-2-6-15(16)18/h2-3,6-7,12-14,21-24H,1,4-5,8-11,20H2
InChIKeyBPXUDWJTXQWFIX-UHFFFAOYSA-N
XLogP3.29
TPSA81.66 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.29
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'-[3-[[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]amino]propyl]propane-1,3-diamine
CID 141107243
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22728646
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
(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)methanediamine
CID 115225408
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
2-(1H-indol-3-yl)aniline
CID 25210227
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
methane;3-phenyl-1H-indole
CID 167711687
3-[5-(2-aminoethylamino)pentylimino]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 91108684

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine?
The IUPAC name of N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine (CID 141107236) is N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine.
What is the SMILES notation for N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine?
The canonical SMILES for N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine is NCCNCCCCCNc1c[nH]cc1-c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine?
The InChIKey is BPXUDWJTXQWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c20-8-11-21-9-4-1-5-10-23-19-14-22-12-17(19)16-13-24-18-7-3-2-6-15(16)18/h2-3,6-7,12-14,21-24H,1,4-5,8-11,20H2.
What are the key properties of N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine?
N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.29, 10 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[4-(1H-indol-3-yl)-1H-pyrrol-3-yl]pentane-1,5-diamine is sourced from PubChem (CID 141107236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).