N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine

C17H24ClN3 — CID 103765844

IUPACN'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H24ClN3/c1-4-13(2)21(3)11-10-19-12-14-7-8-16(18)15-6-5-9-20-17(14)15/h5-9,13,19H,4,10-12H2,1-3H3
InChIKeyJBBPNGJIGOQCIR-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.71
Rot. Bonds7

About N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 103765844) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID103765844
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H24ClN3/c1-4-13(2)21(3)11-10-19-12-14-7-8-16(18)15-6-5-9-20-17(14)15/h5-9,13,19H,4,10-12H2,1-3H3
InChIKeyJBBPNGJIGOQCIR-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224
N-[(5-chloroquinolin-8-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 71969737
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine (CID 103765844) is N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine is CCC(C)N(C)CCNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is JBBPNGJIGOQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-13(2)21(3)11-10-19-12-14-7-8-16(18)15-6-5-9-20-17(14)15/h5-9,13,19H,4,10-12H2,1-3H3.
What are the key properties of N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 305.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103765844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).