4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine

C12H21N3 — CID 123803004

IUPAC4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine
SMILESCC1C=C(CC2CNCC2C)N=C(N)C1
InChIInChI=1S/C12H21N3/c1-8-3-11(15-12(13)4-8)5-10-7-14-6-9(10)2/h3,8-10,14H,4-7H2,1-2H3,(H2,13,15)
InChIKeyAVEYAIYDUZXGOL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.51
Rot. Bonds2

About 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine

4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine (PubChem CID 123803004) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine
PubChem CID123803004
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine
SMILESCC1C=C(CC2CNCC2C)N=C(N)C1
InChIInChI=1S/C12H21N3/c1-8-3-11(15-12(13)4-8)5-10-7-14-6-9(10)2/h3,8-10,14H,4-7H2,1-2H3,(H2,13,15)
InChIKeyAVEYAIYDUZXGOL-UHFFFAOYSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohex-3-en-1-yl-N,N'-bis(ethenyl)propanimidamide
CID 118519255
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
(E)-3-(1-methylpyrrolidin-3-yl)-N'-prop-1-en-2-ylbut-2-enimidamide
CID 178044420
(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine
CID 144740191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine?
The IUPAC name of 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine (CID 123803004) is 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine?
The canonical SMILES for 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine is CC1C=C(CC2CNCC2C)N=C(N)C1.
What is the InChIKey of 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine?
The InChIKey is AVEYAIYDUZXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-3-11(15-12(13)4-8)5-10-7-14-6-9(10)2/h3,8-10,14H,4-7H2,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine?
4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 123803004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).