2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine

C18H27N3 — CID 151608475

IUPAC2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine
SMILESCCCC(CNc1ccc2ccccc2n1)N(CC)CC
InChIInChI=1S/C18H27N3/c1-4-9-16(21(5-2)6-3)14-19-18-13-12-15-10-7-8-11-17(15)20-18/h7-8,10-13,16H,4-6,9,14H2,1-3H3,(H,19,20)
InChIKeyQLZFUFWRUZLOIE-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds8

About 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine

2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine (PubChem CID 151608475) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine
PubChem CID151608475
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine
SMILESCCCC(CNc1ccc2ccccc2n1)N(CC)CC
InChIInChI=1S/C18H27N3/c1-4-9-16(21(5-2)6-3)14-19-18-13-12-15-10-7-8-11-17(15)20-18/h7-8,10-13,16H,4-6,9,14H2,1-3H3,(H,19,20)
InChIKeyQLZFUFWRUZLOIE-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine (CID 151608475) is 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine is CCCC(CNc1ccc2ccccc2n1)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine?
The InChIKey is QLZFUFWRUZLOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-9-16(21(5-2)6-3)14-19-18-13-12-15-10-7-8-11-17(15)20-18/h7-8,10-13,16H,4-6,9,14H2,1-3H3,(H,19,20).
What are the key properties of 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine?
2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-quinolin-2-ylpentane-1,2-diamine is sourced from PubChem (CID 151608475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).