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

C17H29N3 — CID 114524576

IUPAC1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(CCCN(C)C)c2ccccc21
InChIInChI=1S/C17H29N3/c1-4-11-18-16-10-14-20(13-7-12-19(2)3)17-9-6-5-8-15(16)17/h5-6,8-9,16,18H,4,7,10-14H2,1-3H3
InChIKeyXMRNLUDDPHPTCK-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.89
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 114524576) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID114524576
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCNC1CCN(CCCN(C)C)c2ccccc21
InChIInChI=1S/C17H29N3/c1-4-11-18-16-10-14-20(13-7-12-19(2)3)17-9-6-5-8-15(16)17/h5-6,8-9,16,18H,4,7,10-14H2,1-3H3
InChIKeyXMRNLUDDPHPTCK-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine (CID 114524576) is 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine is CCCNC1CCN(CCCN(C)C)c2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is XMRNLUDDPHPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-11-18-16-10-14-20(13-7-12-19(2)3)17-9-6-5-8-15(16)17/h5-6,8-9,16,18H,4,7,10-14H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine?
1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-propyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 114524576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).