N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine

C14H18N4 — CID 113282080

IUPACN-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(C)c3ccccc23)C1
InChIInChI=1S/C14H18N4/c1-10-12-5-3-4-6-13(12)14(17-16-10)18-8-7-11(9-18)15-2/h3-6,11,15H,7-9H2,1-2H3
InChIKeyHEPXUJYIBZFYHI-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.74
Rot. Bonds2

About N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine

N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine (PubChem CID 113282080) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
PubChem CID113282080
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(C)c3ccccc23)C1
InChIInChI=1S/C14H18N4/c1-10-12-5-3-4-6-13(12)14(17-16-10)18-8-7-11(9-18)15-2/h3-6,11,15H,7-9H2,1-2H3
InChIKeyHEPXUJYIBZFYHI-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
1-(3-bromo-4-methylpiperidin-1-yl)-4-methylphthalazine
CID 102961043
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
CID 171323570
[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97144056
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
1-[4-(4-methylphthalazin-1-yl)morpholin-2-yl]ethanamine
CID 115315817
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
2-cyclohexyl-4-[3-(methylamino)azepan-1-yl]phthalazin-1-one
CID 155346104

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine (CID 113282080) is N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine is CNC1CCN(c2nnc(C)c3ccccc23)C1.
What is the InChIKey of N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine?
The InChIKey is HEPXUJYIBZFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-12-5-3-4-6-13(12)14(17-16-10)18-8-7-11(9-18)15-2/h3-6,11,15H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine?
N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 113282080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).