N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine

C16H21ClN2 — CID 106142336

IUPACN-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
SMILESCC(C)(CCCCl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-16(2,9-5-10-17)12-19-15-8-11-18-14-7-4-3-6-13(14)15/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRYIZPXANDNPBJU-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.69
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine

N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine (PubChem CID 106142336) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
PubChem CID106142336
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
SMILESCC(C)(CCCCl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-16(2,9-5-10-17)12-19-15-8-11-18-14-7-4-3-6-13(14)15/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRYIZPXANDNPBJU-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chloroquine
CID 2719
Hydroxychloroquine
CID 3652
(+-)-Desethylhydroxychloroquine
CID 71826
3-Aminoquinoline
CID 11375
(+-)-Desethylchloroquine
CID 95478
3-Methylquinoline
CID 11926
(+-)-Chloroquine diphosphate
CID 83818
5-Aminoquinoline
CID 11911
6-Aminoquinoline
CID 11373
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine (CID 106142336) is N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine is CC(C)(CCCCl)CNc1ccnc2ccccc12.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine?
The InChIKey is RYIZPXANDNPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-16(2,9-5-10-17)12-19-15-8-11-18-14-7-4-3-6-13(14)15/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine?
N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine is sourced from PubChem (CID 106142336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).