N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine

C17H23ClN2 — CID 115959389

IUPACN-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H23ClN2/c1-4-12(2)10-13(3)20-11-14-7-8-16(18)15-6-5-9-19-17(14)15/h5-9,12-13,20H,4,10-11H2,1-3H3
InChIKeyNPRIGYUJZPYGRA-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.80
Rot. Bonds6

About N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine

N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine (PubChem CID 115959389) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
PubChem CID115959389
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H23ClN2/c1-4-12(2)10-13(3)20-11-14-7-8-16(18)15-6-5-9-19-17(14)15/h5-9,12-13,20H,4,10-11H2,1-3H3
InChIKeyNPRIGYUJZPYGRA-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 115697482
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine (CID 115959389) is N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine is CCC(C)CC(C)NCc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine?
The InChIKey is NPRIGYUJZPYGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-4-12(2)10-13(3)20-11-14-7-8-16(18)15-6-5-9-19-17(14)15/h5-9,12-13,20H,4,10-11H2,1-3H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine?
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine has a molecular weight of 290.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine is sourced from PubChem (CID 115959389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).