N-hexan-2-ylcinnolin-4-amine

C14H19N3 — CID 63586030

IUPACN-hexan-2-ylcinnolin-4-amine
SMILESCCCCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C14H19N3/c1-3-4-7-11(2)16-14-10-15-17-13-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHEVNQOMWALOZGP-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.62
Rot. Bonds5

About N-hexan-2-ylcinnolin-4-amine

N-hexan-2-ylcinnolin-4-amine (PubChem CID 63586030) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-hexan-2-ylcinnolin-4-amine.

Molecular Properties

Compound NameN-hexan-2-ylcinnolin-4-amine
PubChem CID63586030
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-hexan-2-ylcinnolin-4-amine
SMILESCCCCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C14H19N3/c1-3-4-7-11(2)16-14-10-15-17-13-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHEVNQOMWALOZGP-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylcinnolin-4-amine?
The IUPAC name of N-hexan-2-ylcinnolin-4-amine (CID 63586030) is N-hexan-2-ylcinnolin-4-amine.
What is the SMILES notation for N-hexan-2-ylcinnolin-4-amine?
The canonical SMILES for N-hexan-2-ylcinnolin-4-amine is CCCCC(C)Nc1cnnc2ccccc12.
What is the InChIKey of N-hexan-2-ylcinnolin-4-amine?
The InChIKey is HEVNQOMWALOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-7-11(2)16-14-10-15-17-13-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-hexan-2-ylcinnolin-4-amine?
N-hexan-2-ylcinnolin-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylcinnolin-4-amine is sourced from PubChem (CID 63586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).