3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine

C14H22N4 — CID 134525474

IUPAC3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
SMILES[H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C
InChIInChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+
InChIKeyZGWRAVSCGJPBQK-OQLLNIDSSA-N
MW246.36 g/mol
LogP2.81
Rot. Bonds4

About 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine

3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine (PubChem CID 134525474) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
PubChem CID134525474
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
SMILES[H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C
InChIInChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+
InChIKeyZGWRAVSCGJPBQK-OQLLNIDSSA-N
XLogP2.81
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methanimidoyl-4-methyl-N-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridin-2-amine
CID 130460037
4,6-dichloro-3-methanimidoyl-N-propan-2-ylpyridin-2-amine
CID 144708530
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 134525501
5-methanimidoyl-6-oxo-4-(propan-2-ylamino)-1H-pyrimidine-2-carboxylic acid
CID 176971772
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302
4-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 156652207
4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 112554790
1-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-3-methanimidoyl-2-(propan-2-ylamino)-4-pyridinyl]piperidine-4-carboxylic acid
CID 134216352
methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-3-methanimidoyl-2-(propan-2-ylamino)-4-pyridinyl]piperidine-4-carboxylate
CID 134216347
N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 138550142
N-[1-(2-chloro-4-methylphenyl)ethyl]-6-(4-ethenylpiperazin-1-yl)-3-methanimidoylpyrazin-2-amine;pyrrolidine
CID 142450185

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The IUPAC name of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine (CID 134525474) is 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine is [H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C.
What is the InChIKey of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The InChIKey is ZGWRAVSCGJPBQK-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+.
What are the key properties of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine is sourced from PubChem (CID 134525474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).