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

C18H27N3 — CID 63465258

IUPAC2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC1Cc2ccccc2N(CCC(C)(C#N)NC(C)C)C1
InChIInChI=1S/C18H27N3/c1-14(2)20-18(4,13-19)9-10-21-12-15(3)11-16-7-5-6-8-17(16)21/h5-8,14-15,20H,9-12H2,1-4H3
InChIKeyYAWDLJKPSMEEKF-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.36
Rot. Bonds5

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

2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63465258) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
PubChem CID63465258
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
SMILESCC1Cc2ccccc2N(CCC(C)(C#N)NC(C)C)C1
InChIInChI=1S/C18H27N3/c1-14(2)20-18(4,13-19)9-10-21-12-15(3)11-16-7-5-6-8-17(16)21/h5-8,14-15,20H,9-12H2,1-4H3
InChIKeyYAWDLJKPSMEEKF-UHFFFAOYSA-N
XLogP3.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile (CID 63465258) is 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile is CC1Cc2ccccc2N(CCC(C)(C#N)NC(C)C)C1.
What is the InChIKey of 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is YAWDLJKPSMEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)20-18(4,13-19)9-10-21-12-15(3)11-16-7-5-6-8-17(16)21/h5-8,14-15,20H,9-12H2,1-4H3.
What are the key properties of 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile?
2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63465258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).