N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine

C16H23N3 — CID 90395677

IUPACN',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
SMILESCC(C)c1cc(NCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H23N3/c1-12(2)14-11-16(17-9-10-19(3)4)18-15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyWAXDQXHLBDDUBP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds5

About N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine (PubChem CID 90395677) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
PubChem CID90395677
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
SMILESCC(C)c1cc(NCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H23N3/c1-12(2)14-11-16(17-9-10-19(3)4)18-15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeyWAXDQXHLBDDUBP-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine (CID 90395677) is N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine is CC(C)c1cc(NCCN(C)C)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is WAXDQXHLBDDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)14-11-16(17-9-10-19(3)4)18-15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 90395677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).