4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine

C19H31N3 — CID 59891558

IUPAC4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12
InChIInChI=1S/C19H31N3/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19/h7-8,11-14,16-18H,5-6,9-10,15H2,1-4H3
InChIKeyVSLBDMGYUGADTN-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.51
Rot. Bonds8

About 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine

4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine (PubChem CID 59891558) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine
PubChem CID59891558
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12
InChIInChI=1S/C19H31N3/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19/h7-8,11-14,16-18H,5-6,9-10,15H2,1-4H3
InChIKeyVSLBDMGYUGADTN-UHFFFAOYSA-N
XLogP3.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine (CID 59891558) is 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine is CCN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12.
What is the InChIKey of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine?
The InChIKey is VSLBDMGYUGADTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19/h7-8,11-14,16-18H,5-6,9-10,15H2,1-4H3.
What are the key properties of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine?
4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine has a molecular weight of 301.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N,1-N-diethyl-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 59891558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).