3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine

C16H26N2 — CID 170867536

IUPAC3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
SMILESCCCCN1CCCc2cc(CCCN)ccc21
InChIInChI=1S/C16H26N2/c1-2-3-11-18-12-5-7-15-13-14(6-4-10-17)8-9-16(15)18/h8-9,13H,2-7,10-12,17H2,1H3
InChIKeyWABZTACKRVRWQS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.13
Rot. Bonds6

About 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine

3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine (PubChem CID 170867536) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
PubChem CID170867536
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
SMILESCCCCN1CCCc2cc(CCCN)ccc21
InChIInChI=1S/C16H26N2/c1-2-3-11-18-12-5-7-15-13-14(6-4-10-17)8-9-16(15)18/h8-9,13H,2-7,10-12,17H2,1H3
InChIKeyWABZTACKRVRWQS-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 82341251
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
CID 6967900
4-[3-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propyl]morpholine
CID 170870224
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
2-amino-2-[(5-octyl-2,3-dihydroindol-1-yl)methyl]propane-1,3-diol
CID 46194745
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The IUPAC name of 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine (CID 170867536) is 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine.
What is the SMILES notation for 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The canonical SMILES for 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine is CCCCN1CCCc2cc(CCCN)ccc21.
What is the InChIKey of 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
The InChIKey is WABZTACKRVRWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-11-18-12-5-7-15-13-14(6-4-10-17)8-9-16(15)18/h8-9,13H,2-7,10-12,17H2,1H3.
What are the key properties of 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine?
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine is sourced from PubChem (CID 170867536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).