N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine

C16H23N3 — CID 81231421

IUPACN',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-9-15(17)13-7-8-16-14(12-13)6-5-10-18-16/h5-8,10,12,15H,3-4,9,11,17H2,1-2H3
InChIKeyCOWSXZYWMVYNLY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.97
Rot. Bonds6

About N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine

N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine (PubChem CID 81231421) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
PubChem CID81231421
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-9-15(17)13-7-8-16-14(12-13)6-5-10-18-16/h5-8,10,12,15H,3-4,9,11,17H2,1-2H3
InChIKeyCOWSXZYWMVYNLY-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-yldecan-1-amine
CID 63418413
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine (CID 81231421) is N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine is CCN(CC)CCC(N)c1ccc2ncccc2c1.
What is the InChIKey of N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine?
The InChIKey is COWSXZYWMVYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19(4-2)11-9-15(17)13-7-8-16-14(12-13)6-5-10-18-16/h5-8,10,12,15H,3-4,9,11,17H2,1-2H3.
What are the key properties of N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine?
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine is sourced from PubChem (CID 81231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).