3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

C17H27N3 — CID 80648840

IUPAC3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESc1cc2c(c(CNCCCN3CCCC3)c1)NCCC2
InChIInChI=1S/C17H27N3/c1-2-12-20(11-1)13-5-9-18-14-16-7-3-6-15-8-4-10-19-17(15)16/h3,6-7,18-19H,1-2,4-5,8-14H2
InChIKeyPGPBSXWMGGQBCJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.62
Rot. Bonds6

About 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (PubChem CID 80648840) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
PubChem CID80648840
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESc1cc2c(c(CNCCCN3CCCC3)c1)NCCC2
InChIInChI=1S/C17H27N3/c1-2-12-20(11-1)13-5-9-18-14-16-7-3-6-15-8-4-10-19-17(15)16/h3,6-7,18-19H,1-2,4-5,8-14H2
InChIKeyPGPBSXWMGGQBCJ-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648401
1-(1-methylpyrrolidin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 106024044

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (CID 80648840) is 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is c1cc2c(c(CNCCCN3CCCC3)c1)NCCC2.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The InChIKey is PGPBSXWMGGQBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-12-20(11-1)13-5-9-18-14-16-7-3-6-15-8-4-10-19-17(15)16/h3,6-7,18-19H,1-2,4-5,8-14H2.
What are the key properties of 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 80648840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).