1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine

C25H33N3 — CID 44537289

IUPAC1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(-c2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C25H33N3/c1-5-28(6-2)17-9-10-20(4)27-25-22-11-7-8-12-24(22)26-18-23(25)21-15-13-19(3)14-16-21/h7-8,11-16,18,20H,5-6,9-10,17H2,1-4H3,(H,26,27)
InChIKeyPGXXXINJWHELAP-UHFFFAOYSA-N
MW375.56 g/mol
LogP6.13
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine (PubChem CID 44537289) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine
PubChem CID44537289
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC Name1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(-c2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C25H33N3/c1-5-28(6-2)17-9-10-20(4)27-25-22-11-7-8-12-24(22)26-18-23(25)21-15-13-19(3)14-16-21/h7-8,11-16,18,20H,5-6,9-10,17H2,1-4H3,(H,26,27)
InChIKeyPGXXXINJWHELAP-UHFFFAOYSA-N
XLogP6.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine (CID 44537289) is 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c(-c2ccc(C)cc2)cnc2ccccc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine?
The InChIKey is PGXXXINJWHELAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3/c1-5-28(6-2)17-9-10-20(4)27-25-22-11-7-8-12-24(22)26-18-23(25)21-15-13-19(3)14-16-21/h7-8,11-16,18,20H,5-6,9-10,17H2,1-4H3,(H,26,27).
What are the key properties of 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine has a molecular weight of 375.56 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[3-(4-methylphenyl)quinolin-4-yl]pentane-1,4-diamine is sourced from PubChem (CID 44537289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).