N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine

C16H21ClN2 — CID 107205471

IUPACN-(5-chloropentyl)-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)CCCCCCl)c2ccccc2n1
InChIInChI=1S/C16H21ClN2/c1-13-12-16(19(2)11-7-3-6-10-17)14-8-4-5-9-15(14)18-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyDNZWXAMAMRLXTP-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.39
Rot. Bonds6

About N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine

N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine (PubChem CID 107205471) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,2-dimethylquinolin-4-amine
PubChem CID107205471
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(5-chloropentyl)-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)CCCCCCl)c2ccccc2n1
InChIInChI=1S/C16H21ClN2/c1-13-12-16(19(2)11-7-3-6-10-17)14-8-4-5-9-15(14)18-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyDNZWXAMAMRLXTP-UHFFFAOYSA-N
XLogP4.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
CID 55184235
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
CID 79660068
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
CID 60871553
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-(4-chlorobutyl)-N-methyl-4-methylsulfanylquinazolin-2-amine
CID 12820920
N-(5-chloropentyl)-N-methyl-1,2,4-benzotriazin-3-amine
CID 107205351
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
N,2-dimethyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642115

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine?
The IUPAC name of N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine (CID 107205471) is N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine?
The canonical SMILES for N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine is Cc1cc(N(C)CCCCCCl)c2ccccc2n1.
What is the InChIKey of N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine?
The InChIKey is DNZWXAMAMRLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-13-12-16(19(2)11-7-3-6-10-17)14-8-4-5-9-15(14)18-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine?
N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 107205471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).