N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine

C19H30N2 — CID 107899433

IUPACN-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCCN2CC=C(C)C
InChIInChI=1S/C19H30N2/c1-5-11-20-16(4)17-8-9-19-18(14-17)7-6-12-21(19)13-10-15(2)3/h8-10,14,16,20H,5-7,11-13H2,1-4H3
InChIKeyIAUINCUGIFJTMD-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.47
Rot. Bonds6

About N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine

N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine (PubChem CID 107899433) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
PubChem CID107899433
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCCN2CC=C(C)C
InChIInChI=1S/C19H30N2/c1-5-11-20-16(4)17-8-9-19-18(14-17)7-6-12-21(19)13-10-15(2)3/h8-10,14,16,20H,5-7,11-13H2,1-4H3
InChIKeyIAUINCUGIFJTMD-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661865
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662108
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106670009

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine (CID 107899433) is N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc2c(c1)CCCN2CC=C(C)C.
What is the InChIKey of N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine?
The InChIKey is IAUINCUGIFJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-11-20-16(4)17-8-9-19-18(14-17)7-6-12-21(19)13-10-15(2)3/h8-10,14,16,20H,5-7,11-13H2,1-4H3.
What are the key properties of N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine?
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107899433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).