N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine

C16H21ClN2 — CID 106154673

IUPACN-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCCC(C)CCl
InChIInChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-13(2)10-14-7-3-4-8-15(14)19-16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19)
InChIKeyWMPAEGGGWLTCEB-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.61
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine

N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine (PubChem CID 106154673) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
PubChem CID106154673
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCCC(C)CCl
InChIInChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-13(2)10-14-7-3-4-8-15(14)19-16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19)
InChIKeyWMPAEGGGWLTCEB-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
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

3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
CID 65028385
N-(1-methoxypropan-2-yl)-3-methylquinolin-2-amine
CID 63229340
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine (CID 106154673) is N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NCCCC(C)CCl.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine?
The InChIKey is WMPAEGGGWLTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-12(11-17)6-5-9-18-16-13(2)10-14-7-3-4-8-15(14)19-16/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine?
N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine has a molecular weight of 276.81 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine is sourced from PubChem (CID 106154673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).