2-(3,4-dihydropyridin-2-yl)guanidine

C6H10N4 — CID 163442498

IUPAC2-(3,4-dihydropyridin-2-yl)guanidine
SMILESNC(N)=NC1=NC=CCC1
InChIInChI=1S/C6H10N4/c7-6(8)10-5-3-1-2-4-9-5/h2,4H,1,3H2,(H4,7,8,9,10)
InChIKeyAZSFALVLTBDZID-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.03
Rot. Bonds

About 2-(3,4-dihydropyridin-2-yl)guanidine

2-(3,4-dihydropyridin-2-yl)guanidine (PubChem CID 163442498) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-2-yl)guanidine.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-2-yl)guanidine
PubChem CID163442498
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-(3,4-dihydropyridin-2-yl)guanidine
SMILESNC(N)=NC1=NC=CCC1
InChIInChI=1S/C6H10N4/c7-6(8)10-5-3-1-2-4-9-5/h2,4H,1,3H2,(H4,7,8,9,10)
InChIKeyAZSFALVLTBDZID-UHFFFAOYSA-N
XLogP-0.03
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-2-yl)guanidine?
The IUPAC name of 2-(3,4-dihydropyridin-2-yl)guanidine (CID 163442498) is 2-(3,4-dihydropyridin-2-yl)guanidine.
What is the SMILES notation for 2-(3,4-dihydropyridin-2-yl)guanidine?
The canonical SMILES for 2-(3,4-dihydropyridin-2-yl)guanidine is NC(N)=NC1=NC=CCC1.
What is the InChIKey of 2-(3,4-dihydropyridin-2-yl)guanidine?
The InChIKey is AZSFALVLTBDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-6(8)10-5-3-1-2-4-9-5/h2,4H,1,3H2,(H4,7,8,9,10).
What are the key properties of 2-(3,4-dihydropyridin-2-yl)guanidine?
2-(3,4-dihydropyridin-2-yl)guanidine has a molecular weight of 138.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-2-yl)guanidine is sourced from PubChem (CID 163442498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).