3-cinnolin-4-yl-N-methylpentan-2-amine

C14H19N3 — CID 63586053

IUPAC3-cinnolin-4-yl-N-methylpentan-2-amine
SMILESCCC(c1cnnc2ccccc12)C(C)NC
InChIInChI=1S/C14H19N3/c1-4-11(10(2)15-3)13-9-16-17-14-8-6-5-7-12(13)14/h5-11,15H,4H2,1-3H3
InChIKeyIJMNYVRMPSQXSM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.73
Rot. Bonds4

About 3-cinnolin-4-yl-N-methylpentan-2-amine

3-cinnolin-4-yl-N-methylpentan-2-amine (PubChem CID 63586053) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-cinnolin-4-yl-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-cinnolin-4-yl-N-methylpentan-2-amine
PubChem CID63586053
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-cinnolin-4-yl-N-methylpentan-2-amine
SMILESCCC(c1cnnc2ccccc12)C(C)NC
InChIInChI=1S/C14H19N3/c1-4-11(10(2)15-3)13-9-16-17-14-8-6-5-7-12(13)14/h5-11,15H,4H2,1-3H3
InChIKeyIJMNYVRMPSQXSM-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cinnolin-4-ylbutan-2-ol
CID 63587147
N-propan-2-ylcinnolin-4-amine
CID 39733520
3-cinnolin-4-ylbutanoic acid
CID 83887029
4-ethylcinnoline
CID 54530021
N-hexan-2-ylcinnolin-4-amine
CID 63586030
1-cinnolin-4-yl-N-ethylpropan-2-amine
CID 63586050
N-methylcinnolin-4-amine
CID 6412705
N-heptan-2-ylcinnolin-4-amine
CID 63587119
N-(7-methyloctyl)cinnolin-4-amine
CID 107816241
2-[(cinnolin-4-ylamino)methyl]butanoic acid
CID 65226536
N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine
CID 63229405
3-(cinnolin-4-ylamino)butan-1-ol
CID 83187349

Frequently Asked Questions

What is the IUPAC name of 3-cinnolin-4-yl-N-methylpentan-2-amine?
The IUPAC name of 3-cinnolin-4-yl-N-methylpentan-2-amine (CID 63586053) is 3-cinnolin-4-yl-N-methylpentan-2-amine.
What is the SMILES notation for 3-cinnolin-4-yl-N-methylpentan-2-amine?
The canonical SMILES for 3-cinnolin-4-yl-N-methylpentan-2-amine is CCC(c1cnnc2ccccc12)C(C)NC.
What is the InChIKey of 3-cinnolin-4-yl-N-methylpentan-2-amine?
The InChIKey is IJMNYVRMPSQXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-11(10(2)15-3)13-9-16-17-14-8-6-5-7-12(13)14/h5-11,15H,4H2,1-3H3.
What are the key properties of 3-cinnolin-4-yl-N-methylpentan-2-amine?
3-cinnolin-4-yl-N-methylpentan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cinnolin-4-yl-N-methylpentan-2-amine is sourced from PubChem (CID 63586053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).