N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide

C12H21N3 — CID 57037934

IUPACN'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
SMILESCCC1=CN(CC)CC(/N=C/N(C)C)=C1
InChIInChI=1S/C12H21N3/c1-5-11-7-12(13-10-14(3)4)9-15(6-2)8-11/h7-8,10H,5-6,9H2,1-4H3/b13-10+
InChIKeyFZEPWRXNJBEGFA-JLHYYAGUSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds4

About N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide

N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 57037934) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
PubChem CID57037934
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
SMILESCCC1=CN(CC)CC(/N=C/N(C)C)=C1
InChIInChI=1S/C12H21N3/c1-5-11-7-12(13-10-14(3)4)9-15(6-2)8-11/h7-8,10H,5-6,9H2,1-4H3/b13-10+
InChIKeyFZEPWRXNJBEGFA-JLHYYAGUSA-N
XLogP2.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
1-Butyl-5-methyl-3a,4-dihydrobenzimidazole
CID 134239411
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
6-Methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
CID 139297563
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N'-(1,3-diethyl-6-methyl-2H-pyridin-5-yl)-N,N-dimethylmethanimidamide
CID 140968291
(8E)-7-but-3-enylidene-8-ethylidene-3,6-dimethyl-4,5-dihydro-1,3,6-triazocine;ethane
CID 141790713
N,N,N',1,4-pentamethyl-2H-pyridine-6-carboximidamide
CID 142175061
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide (CID 57037934) is N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide is CCC1=CN(CC)CC(/N=C/N(C)C)=C1.
What is the InChIKey of N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FZEPWRXNJBEGFA-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11-7-12(13-10-14(3)4)9-15(6-2)8-11/h7-8,10H,5-6,9H2,1-4H3/b13-10+.
What are the key properties of N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide?
N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 57037934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).