4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile

C17H25N3 — CID 63028861

IUPAC4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1c2ccccc2CCC1C
InChIInChI=1S/C17H25N3/c1-13(2)19-16(12-18)10-11-20-14(3)8-9-15-6-4-5-7-17(15)20/h4-7,13-14,16,19H,8-11H2,1-3H3
InChIKeyKPHYZMXZSASRPU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.11
Rot. Bonds5

About 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile

4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63028861) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63028861
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C#N)CCN1c2ccccc2CCC1C
InChIInChI=1S/C17H25N3/c1-13(2)19-16(12-18)10-11-20-14(3)8-9-15-6-4-5-7-17(15)20/h4-7,13-14,16,19H,8-11H2,1-3H3
InChIKeyKPHYZMXZSASRPU-UHFFFAOYSA-N
XLogP3.11
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63028861) is 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile is CC(C)NC(C#N)CCN1c2ccccc2CCC1C.
What is the InChIKey of 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is KPHYZMXZSASRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)19-16(12-18)10-11-20-14(3)8-9-15-6-4-5-7-17(15)20/h4-7,13-14,16,19H,8-11H2,1-3H3.
What are the key properties of 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).