N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine

C17H28N2 — CID 62557981

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)N1CCCc2ccccc21
InChIInChI=1S/C17H28N2/c1-14(2)10-11-18-13-15(3)19-12-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,14-15,18H,6,8,10-13H2,1-3H3
InChIKeyZLCUDWJNLBDQQU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine (PubChem CID 62557981) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
PubChem CID62557981
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)N1CCCc2ccccc21
InChIInChI=1S/C17H28N2/c1-14(2)10-11-18-13-15(3)19-12-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,14-15,18H,6,8,10-13H2,1-3H3
InChIKeyZLCUDWJNLBDQQU-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpentan-1-amine
CID 83043322
4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225397
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine (CID 62557981) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine is CC(C)CCNCC(C)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is ZLCUDWJNLBDQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)10-11-18-13-15(3)19-12-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,14-15,18H,6,8,10-13H2,1-3H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62557981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).