2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile

C15H19N3 — CID 65496770

IUPAC2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC(N)Cc3ccccc32)CC1
InChIInChI=1S/C15H19N3/c16-8-7-15(5-6-15)11-18-10-13(17)9-12-3-1-2-4-14(12)18/h1-4,13H,5-7,9-11,17H2
InChIKeyVHHYRDSVLYLOFX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.07
Rot. Bonds3

About 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65496770) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65496770
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC(N)Cc3ccccc32)CC1
InChIInChI=1S/C15H19N3/c16-8-7-15(5-6-15)11-18-10-13(17)9-12-3-1-2-4-14(12)18/h1-4,13H,5-7,9-11,17H2
InChIKeyVHHYRDSVLYLOFX-UHFFFAOYSA-N
XLogP2.07
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65496770) is 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(CN2CC(N)Cc3ccccc32)CC1.
What is the InChIKey of 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is VHHYRDSVLYLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-8-7-15(5-6-15)11-18-10-13(17)9-12-3-1-2-4-14(12)18/h1-4,13H,5-7,9-11,17H2.
What are the key properties of 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).