N-heptan-3-ylquinolin-6-amine

C16H22N2 — CID 63946746

IUPACN-heptan-3-ylquinolin-6-amine
SMILESCCCCC(CC)Nc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2/c1-3-5-8-14(4-2)18-15-9-10-16-13(12-15)7-6-11-17-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3
InChIKeyXUADBABEDLUSTL-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.62
Rot. Bonds6

About N-heptan-3-ylquinolin-6-amine

N-heptan-3-ylquinolin-6-amine (PubChem CID 63946746) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-heptan-3-ylquinolin-6-amine.

Molecular Properties

Compound NameN-heptan-3-ylquinolin-6-amine
PubChem CID63946746
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-heptan-3-ylquinolin-6-amine
SMILESCCCCC(CC)Nc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2/c1-3-5-8-14(4-2)18-15-9-10-16-13(12-15)7-6-11-17-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3
InChIKeyXUADBABEDLUSTL-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-ylquinolin-6-amine
CID 62636483
N-heptan-3-ylquinolin-3-amine
CID 63947322
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
N-(1-cyclopropylpropan-2-yl)quinolin-6-amine
CID 115928694
N-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402
N-quinolin-6-ylethanesulfonamide
CID 64584546
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yldecan-1-amine
CID 63418413
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-ylquinolin-6-amine?
The IUPAC name of N-heptan-3-ylquinolin-6-amine (CID 63946746) is N-heptan-3-ylquinolin-6-amine.
What is the SMILES notation for N-heptan-3-ylquinolin-6-amine?
The canonical SMILES for N-heptan-3-ylquinolin-6-amine is CCCCC(CC)Nc1ccc2ncccc2c1.
What is the InChIKey of N-heptan-3-ylquinolin-6-amine?
The InChIKey is XUADBABEDLUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-8-14(4-2)18-15-9-10-16-13(12-15)7-6-11-17-16/h6-7,9-12,14,18H,3-5,8H2,1-2H3.
What are the key properties of N-heptan-3-ylquinolin-6-amine?
N-heptan-3-ylquinolin-6-amine has a molecular weight of 242.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-ylquinolin-6-amine is sourced from PubChem (CID 63946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).