2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide

C16H25N3O — CID 81214586

IUPAC2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C16H25N3O/c1-3-4-9-19(11-16(17)20)14-7-8-15-13(10-14)6-5-12(2)18-15/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H2,17,20)
InChIKeyHKGCCDKBNAMDCK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.53
Rot. Bonds6

About 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide

2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide (PubChem CID 81214586) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
PubChem CID81214586
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C16H25N3O/c1-3-4-9-19(11-16(17)20)14-7-8-15-13(10-14)6-5-12(2)18-15/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H2,17,20)
InChIKeyHKGCCDKBNAMDCK-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
CID 103102718
N'-ethyl-N,N-dimethyl-N'-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propane-1,3-diamine
CID 102993888
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
N-(4-fluorophenyl)-N,2-dimethyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215085
N,N,2-trimethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102567770
2-(N-butyl-4-carbamothioyl-3-chloroanilino)acetamide
CID 62947297
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
CID 106915819
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide (CID 81214586) is 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide is CCCCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The InChIKey is HKGCCDKBNAMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-4-9-19(11-16(17)20)14-7-8-15-13(10-14)6-5-12(2)18-15/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide is sourced from PubChem (CID 81214586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).