3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine

C15H25N3O — CID 62984087

IUPAC3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCOCCCN(C)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C15H25N3O/c1-18(8-5-9-19-2)15-13(11-16)10-12-6-3-4-7-14(12)17-15/h10H,3-9,11,16H2,1-2H3
InChIKeyOYVZTOIDCVQACG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.89
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine

3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine (PubChem CID 62984087) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
PubChem CID62984087
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
SMILESCOCCCN(C)c1nc2c(cc1CN)CCCC2
InChIInChI=1S/C15H25N3O/c1-18(8-5-9-19-2)15-13(11-16)10-12-6-3-4-7-14(12)17-15/h10H,3-9,11,16H2,1-2H3
InChIKeyOYVZTOIDCVQACG-UHFFFAOYSA-N
XLogP1.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine (CID 62984087) is 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine is COCCCN(C)c1nc2c(cc1CN)CCCC2.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine?
The InChIKey is OYVZTOIDCVQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(8-5-9-19-2)15-13(11-16)10-12-6-3-4-7-14(12)17-15/h10H,3-9,11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine?
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine is sourced from PubChem (CID 62984087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).