4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C7H13N3 — CID 143657702

IUPAC4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(C)CC1
InChIInChI=1S/C7H13N3/c1-6-2-4-10(5-3-6)7(8)9/h2H,3-5H2,1H3,(H3,8,9)
InChIKeyZMMOAIUBIKRSNG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.53
Rot. Bonds

About 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide

4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 143657702) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID143657702
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(C)CC1
InChIInChI=1S/C7H13N3/c1-6-2-4-10(5-3-6)7(8)9/h2H,3-5H2,1H3,(H3,8,9)
InChIKeyZMMOAIUBIKRSNG-UHFFFAOYSA-N
XLogP0.53
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyridine-1-carboximidamide
CID 19089264
3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide
CID 22325991
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878518
3-[2-(Dimethylamino)ethyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878519
3-(2-Aminoethyl)-2,5-dihydropyrrole-1-carboximidamide;yttrium
CID 59878530
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 69078729
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
1-[(2E,4Z)-2,4-dimethylhexa-2,4-dienyl]-1-propylguanidine
CID 139324978
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 143657701
4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 145110941
(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
CID 173137642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 143657702) is 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N)N1CC=C(C)CC1.
What is the InChIKey of 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is ZMMOAIUBIKRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-2-4-10(5-3-6)7(8)9/h2H,3-5H2,1H3,(H3,8,9).
What are the key properties of 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 139.20 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 143657702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).