2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide

C14H18N4O — CID 63236008

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C14H18N4O/c15-6-5-11-9-18(10-14(19)17-8-7-16)13-4-2-1-3-12(11)13/h1-4,11H,5-6,8-10,15H2,(H,17,19)
InChIKeySNCKPUHDNUWZDI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.58
Rot. Bonds5

About 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide (PubChem CID 63236008) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
PubChem CID63236008
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C14H18N4O/c15-6-5-11-9-18(10-14(19)17-8-7-16)13-4-2-1-3-12(11)13/h1-4,11H,5-6,8-10,15H2,(H,17,19)
InChIKeySNCKPUHDNUWZDI-UHFFFAOYSA-N
XLogP0.58
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide (CID 63236008) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide is N#CCNC(=O)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide?
The InChIKey is SNCKPUHDNUWZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-6-5-11-9-18(10-14(19)17-8-7-16)13-4-2-1-3-12(11)13/h1-4,11H,5-6,8-10,15H2,(H,17,19).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 63236008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).