N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine

C14H22N2O — CID 114277135

IUPACN-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNc2ccccc21)OC
InChIInChI=1S/C14H22N2O/c1-3-10-16(17-2)11-12-8-9-15-14-7-5-4-6-13(12)14/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVUIPYBAJNXFKQT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.86
Rot. Bonds5

About N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine

N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine (PubChem CID 114277135) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
PubChem CID114277135
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNc2ccccc21)OC
InChIInChI=1S/C14H22N2O/c1-3-10-16(17-2)11-12-8-9-15-14-7-5-4-6-13(12)14/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyVUIPYBAJNXFKQT-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine (CID 114277135) is N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine is CCCN(CC1CCNc2ccccc21)OC.
What is the InChIKey of N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine?
The InChIKey is VUIPYBAJNXFKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10-16(17-2)11-12-8-9-15-14-7-5-4-6-13(12)14/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine?
N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 114277135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).