3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile

C15H21N3 — CID 79741177

IUPAC3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCc2cc(N)ccc21
InChIInChI=1S/C15H21N3/c1-11(2)18(9-3-8-16)15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15H,3-4,7,9,17H2,1-2H3
InChIKeyGHBBWSAZXJMEPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.88
Rot. Bonds4

About 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile (PubChem CID 79741177) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile
PubChem CID79741177
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCc2cc(N)ccc21
InChIInChI=1S/C15H21N3/c1-11(2)18(9-3-8-16)15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15H,3-4,7,9,17H2,1-2H3
InChIKeyGHBBWSAZXJMEPF-UHFFFAOYSA-N
XLogP2.88
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amiflamine
CID 71221
3-[(3,4-Dimethylphenyl)amino]propanenitrile
CID 2416540
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
2-methyl-2,3-dihydro-1H-isoindol-5-amine
CID 21988160
4-[(4aS,5R,9bS)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl]aniline
CID 55850
2-ethyl-2,3-dihydro-1H-isoindol-5-amine
CID 24278731
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-1-methyl-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-beta,9b-alpha)-
CID 3033733
Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-1-methyl-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 3033738
2,3-dihydro-1H-indene-1,6-diamine
CID 18356524
1,1,2-trimethyl-2,3-dihydro-1H-isoindol-5-amine
CID 58289813
4-[(Dimethylamino)methyl]-3-methylaniline
CID 67304575
4-[(4aS,5S,9bS)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl]aniline
CID 55876

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile (CID 79741177) is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)C1CCc2cc(N)ccc21.
What is the InChIKey of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile?
The InChIKey is GHBBWSAZXJMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18(9-3-8-16)15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15H,3-4,7,9,17H2,1-2H3.
What are the key properties of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile?
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 79741177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).