N-(2-chloro-3-ethylpentyl)quinolin-4-amine

C16H21ClN2 — CID 106287021

IUPACN-(2-chloro-3-ethylpentyl)quinolin-4-amine
SMILESCCC(CC)C(Cl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-3-12(4-2)14(17)11-19-16-9-10-18-15-8-6-5-7-13(15)16/h5-10,12,14H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyAYBBDNJJJHHBGE-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.69
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)quinolin-4-amine

N-(2-chloro-3-ethylpentyl)quinolin-4-amine (PubChem CID 106287021) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)quinolin-4-amine
PubChem CID106287021
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-(2-chloro-3-ethylpentyl)quinolin-4-amine
SMILESCCC(CC)C(Cl)CNc1ccnc2ccccc12
InChIInChI=1S/C16H21ClN2/c1-3-12(4-2)14(17)11-19-16-9-10-18-15-8-6-5-7-13(15)16/h5-10,12,14H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyAYBBDNJJJHHBGE-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

N-(2-methylbutyl)quinolin-4-amine
CID 62694785
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
N-ethylquinolin-4-amine
CID 15306588
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
N-[2-(2-chloroethyl)pentyl]quinolin-4-amine
CID 106117398
N-pentan-3-ylquinolin-4-amine
CID 61340263
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)quinolin-4-amine?
The IUPAC name of N-(2-chloro-3-ethylpentyl)quinolin-4-amine (CID 106287021) is N-(2-chloro-3-ethylpentyl)quinolin-4-amine.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)quinolin-4-amine?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)quinolin-4-amine is CCC(CC)C(Cl)CNc1ccnc2ccccc12.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)quinolin-4-amine?
The InChIKey is AYBBDNJJJHHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-3-12(4-2)14(17)11-19-16-9-10-18-15-8-6-5-7-13(15)16/h5-10,12,14H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-3-ethylpentyl)quinolin-4-amine?
N-(2-chloro-3-ethylpentyl)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-(2-chloro-3-ethylpentyl)quinolin-4-amine is sourced from PubChem (CID 106287021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).