6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine

C16H27N3O — CID 54370664

IUPAC6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine
SMILESCCCN(CCC)C1CNc2c(N)cc(OC)cc2C1
InChIInChI=1S/C16H27N3O/c1-4-6-19(7-5-2)13-8-12-9-14(20-3)10-15(17)16(12)18-11-13/h9-10,13,18H,4-8,11,17H2,1-3H3
InChIKeyUSYUMQJVQBGEIH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.74
Rot. Bonds6

About 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine

6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine (PubChem CID 54370664) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine.

Molecular Properties

Compound Name6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine
PubChem CID54370664
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine
SMILESCCCN(CCC)C1CNc2c(N)cc(OC)cc2C1
InChIInChI=1S/C16H27N3O/c1-4-6-19(7-5-2)13-8-12-9-14(20-3)10-15(17)16(12)18-11-13/h9-10,13,18H,4-8,11,17H2,1-3H3
InChIKeyUSYUMQJVQBGEIH-UHFFFAOYSA-N
XLogP2.74
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine?
The IUPAC name of 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine (CID 54370664) is 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine.
What is the SMILES notation for 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine?
The canonical SMILES for 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine is CCCN(CCC)C1CNc2c(N)cc(OC)cc2C1.
What is the InChIKey of 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine?
The InChIKey is USYUMQJVQBGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-19(7-5-2)13-8-12-9-14(20-3)10-15(17)16(12)18-11-13/h9-10,13,18H,4-8,11,17H2,1-3H3.
What are the key properties of 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine?
6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-N,3-N-dipropyl-1,2,3,4-tetrahydroquinoline-3,8-diamine is sourced from PubChem (CID 54370664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).