N-heptan-3-ylquinolin-3-amine

C16H22N2 — CID 63947322

IUPACN-heptan-3-ylquinolin-3-amine
SMILESCCCCC(CC)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-3-5-9-14(4-2)18-15-11-13-8-6-7-10-16(13)17-12-15/h6-8,10-12,14,18H,3-5,9H2,1-2H3
InChIKeyDIMHJCKKJOQZHE-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.62
Rot. Bonds6

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

N-heptan-3-ylquinolin-3-amine (PubChem CID 63947322) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-heptan-3-ylquinolin-3-amine.

Molecular Properties

Compound NameN-heptan-3-ylquinolin-3-amine
PubChem CID63947322
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-heptan-3-ylquinolin-3-amine
SMILESCCCCC(CC)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-3-5-9-14(4-2)18-15-11-13-8-6-7-10-16(13)17-12-15/h6-8,10-12,14,18H,3-5,9H2,1-2H3
InChIKeyDIMHJCKKJOQZHE-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-heptan-3-ylquinolin-6-amine
CID 63946746
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate
CID 70160275
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232
N-[1-(3-chlorophenyl)propyl]quinolin-3-amine
CID 43691273
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
3-methylquinoline;pentane
CID 145470784
N-hexan-2-ylquinolin-6-amine
CID 62636483
3-methyl-N-octan-4-ylquinolin-2-amine
CID 106026571
N-[1-(2-methylphenyl)ethyl]quinolin-3-amine
CID 43691256
N-undecan-3-ylaniline
CID 171755615

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-ylquinolin-3-amine?
The IUPAC name of N-heptan-3-ylquinolin-3-amine (CID 63947322) is N-heptan-3-ylquinolin-3-amine.
What is the SMILES notation for N-heptan-3-ylquinolin-3-amine?
The canonical SMILES for N-heptan-3-ylquinolin-3-amine is CCCCC(CC)Nc1cnc2ccccc2c1.
What is the InChIKey of N-heptan-3-ylquinolin-3-amine?
The InChIKey is DIMHJCKKJOQZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-9-14(4-2)18-15-11-13-8-6-7-10-16(13)17-12-15/h6-8,10-12,14,18H,3-5,9H2,1-2H3.
What are the key properties of N-heptan-3-ylquinolin-3-amine?
N-heptan-3-ylquinolin-3-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-3-amine is sourced from PubChem (CID 63947322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).