N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide

C7H13N3 — CID 166075907

IUPACN'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
SMILESC/N=C(\N)C1=CCNCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3,(H2,8,9)
InChIKeyZOYQQNNWIYWNIN-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.11
Rot. Bonds1

About N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide

N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide (PubChem CID 166075907) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
PubChem CID166075907
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
SMILESC/N=C(\N)C1=CCNCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3,(H2,8,9)
InChIKeyZOYQQNNWIYWNIN-UHFFFAOYSA-N
XLogP-0.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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

4-Methyl-1,2,5,6-tetrahydropyridine-2-imine
CID 9793827
2-Pyridinamine, 3,6-dihydro-4-methyl-
CID 44313256
N-[(Z)-2-fluoroethenyl]-N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166762632
2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 90986067
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
CID 137053045
2-(1,2,3,6-Tetrahydropyridin-4-yl)-1,4-dihydropyrimidine
CID 142529726
(4Z)-N-ethyl-4-ethylidene-2,3-dihydropyrrol-5-amine;molecular hydrogen
CID 144066620
(2E)-2-ethenyl-4-(ethylaminomethyl)-N',5-dimethylhexa-2,4-dienimidamide
CID 144104042
5-Methyl-2,3-dihydropyridin-6-amine
CID 144380992

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The IUPAC name of N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide (CID 166075907) is N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide.
What is the SMILES notation for N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The canonical SMILES for N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide is C/N=C(\N)C1=CCNCC1.
What is the InChIKey of N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
The InChIKey is ZOYQQNNWIYWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-7(8)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3,(H2,8,9).
What are the key properties of N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide?
N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide has a molecular weight of 139.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide is sourced from PubChem (CID 166075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).