1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine

C13H19N3 — CID 157035852

IUPAC1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine
SMILESC=C(NCCN)NC1CCc2ccccc21
InChIInChI=1S/C13H19N3/c1-10(15-9-8-14)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,13,15-16H,1,6-9,14H2
InChIKeyOLAVHTGALHXTGK-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.28
Rot. Bonds5

About 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine

1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine (PubChem CID 157035852) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine
PubChem CID157035852
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine
SMILESC=C(NCCN)NC1CCc2ccccc21
InChIInChI=1S/C13H19N3/c1-10(15-9-8-14)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,13,15-16H,1,6-9,14H2
InChIKeyOLAVHTGALHXTGK-UHFFFAOYSA-N
XLogP1.28
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24983548
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1-(2,3-dihydro-1H-inden-1-yl)-2-methylguanidine
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N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
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1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide
CID 169298098
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
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3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
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2-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamothioylamino]ethyl 2-methylbutanoate
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2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine (CID 157035852) is 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine is C=C(NCCN)NC1CCc2ccccc21.
What is the InChIKey of 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine?
The InChIKey is OLAVHTGALHXTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(15-9-8-14)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,13,15-16H,1,6-9,14H2.
What are the key properties of 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine?
1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine has a molecular weight of 217.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine is sourced from PubChem (CID 157035852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).