N-propyl-1-quinolin-6-ylethane-1,2-diamine

C14H19N3 — CID 63967677

IUPACN-propyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc2ncccc2c1
InChIInChI=1S/C14H19N3/c1-2-7-16-14(10-15)12-5-6-13-11(9-12)4-3-8-17-13/h3-6,8-9,14,16H,2,7,10,15H2,1H3
InChIKeyQNBNLPQOQWPZEZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.23
Rot. Bonds5

About N-propyl-1-quinolin-6-ylethane-1,2-diamine

N-propyl-1-quinolin-6-ylethane-1,2-diamine (PubChem CID 63967677) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-propyl-1-quinolin-6-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-1-quinolin-6-ylethane-1,2-diamine
PubChem CID63967677
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-propyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc2ncccc2c1
InChIInChI=1S/C14H19N3/c1-2-7-16-14(10-15)12-5-6-13-11(9-12)4-3-8-17-13/h3-6,8-9,14,16H,2,7,10,15H2,1H3
InChIKeyQNBNLPQOQWPZEZ-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662
1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65377807
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
2-quinolin-6-ylpropan-1-amine
CID 79002101
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81231399
1-quinolin-6-ylbutan-1-amine
CID 63095616
N-[quinolin-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-quinolin-6-ylethane-1,2-diamine?
The IUPAC name of N-propyl-1-quinolin-6-ylethane-1,2-diamine (CID 63967677) is N-propyl-1-quinolin-6-ylethane-1,2-diamine.
What is the SMILES notation for N-propyl-1-quinolin-6-ylethane-1,2-diamine?
The canonical SMILES for N-propyl-1-quinolin-6-ylethane-1,2-diamine is CCCNC(CN)c1ccc2ncccc2c1.
What is the InChIKey of N-propyl-1-quinolin-6-ylethane-1,2-diamine?
The InChIKey is QNBNLPQOQWPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-7-16-14(10-15)12-5-6-13-11(9-12)4-3-8-17-13/h3-6,8-9,14,16H,2,7,10,15H2,1H3.
What are the key properties of N-propyl-1-quinolin-6-ylethane-1,2-diamine?
N-propyl-1-quinolin-6-ylethane-1,2-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-quinolin-6-ylethane-1,2-diamine is sourced from PubChem (CID 63967677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).