1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine

C17H28N4 — CID 134503074

IUPAC1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CCNCN1CCCCC1)CCC2
InChIInChI=1S/C17H28N4/c18-16-7-6-15-5-4-11-21(17(15)13-16)12-8-19-14-20-9-2-1-3-10-20/h6-7,13,19H,1-5,8-12,14,18H2
InChIKeyZIXRPASIOOFONG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine

1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 134503074) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine
PubChem CID134503074
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(CCNCN1CCCCC1)CCC2
InChIInChI=1S/C17H28N4/c18-16-7-6-15-5-4-11-21(17(15)13-16)12-8-19-14-20-9-2-1-3-10-20/h6-7,13,19H,1-5,8-12,14,18H2
InChIKeyZIXRPASIOOFONG-UHFFFAOYSA-N
XLogP2.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine (CID 134503074) is 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(CCNCN1CCCCC1)CCC2.
What is the InChIKey of 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is ZIXRPASIOOFONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-16-7-6-15-5-4-11-21(17(15)13-16)12-8-19-14-20-9-2-1-3-10-20/h6-7,13,19H,1-5,8-12,14,18H2.
What are the key properties of 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine?
1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 288.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 134503074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).