methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine

C16H31N3 — CID 143204907

IUPACmethanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
SMILESCC(CC1(C)CCCN1)C(C)C1=CCCN=C1.CN
InChIInChI=1S/C15H26N2.CH5N/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14;1-2/h6,11-13,17H,4-5,7-10H2,1-3H3;2H2,1H3
InChIKeyPZMIWRPINPVQMB-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.77
Rot. Bonds4

About methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine

methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine (PubChem CID 143204907) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Namemethanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
PubChem CID143204907
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Namemethanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
SMILESCC(CC1(C)CCCN1)C(C)C1=CCCN=C1.CN
InChIInChI=1S/C15H26N2.CH5N/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14;1-2/h6,11-13,17H,4-5,7-10H2,1-3H3;2H2,1H3
InChIKeyPZMIWRPINPVQMB-UHFFFAOYSA-N
XLogP2.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-fluoro-3-[(2R)-pyrrolidin-2-yl]-2,3-dihydropyridine
CID 88982622
3-[4-[4-(2,3-Dihydroazet-3-yl)cyclohex-3-en-1-yl]cyclohexyl]-5-azaspiro[3.4]octane
CID 117907585
N-methyl-7-[4-(4-methylhexyl)-2H-pyrrol-2-yl]heptan-2-amine
CID 123270462
4-[[4,4-Bis(prop-2-enyl)pyrrolidin-2-yl]methyl]-5-chloro-3-ethenyl-2-methyl-2,3-dihydropyridine
CID 123866438
2,6-Dimethyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135116
5-Methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135306
(E)-4-[(Z)-4-(5-ethylpyrrolidin-3-yl)but-1-enyl]dodec-2-en-1-imine
CID 143188374
Ethane;5-[1-(2-methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
CID 143204904
5-[1-(2-Methylpyrrolidin-2-yl)pentan-3-yl]-2,3-dihydropyridine
CID 143204905
5-[3-Methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine
CID 143204908

Frequently Asked Questions

What is the IUPAC name of methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The IUPAC name of methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine (CID 143204907) is methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The canonical SMILES for methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine is CC(CC1(C)CCCN1)C(C)C1=CCCN=C1.CN.
What is the InChIKey of methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
The InChIKey is PZMIWRPINPVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.CH5N/c1-12(10-15(3)7-5-9-17-15)13(2)14-6-4-8-16-11-14;1-2/h6,11-13,17H,4-5,7-10H2,1-3H3;2H2,1H3.
What are the key properties of methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine?
methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine has a molecular weight of 265.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;5-[3-methyl-4-(2-methylpyrrolidin-2-yl)butan-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 143204907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).