3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine

C11H18N6 — CID 83036577

IUPAC3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C11H18N6/c1-3-17(11(14)16-10(12)13)7-9-6-4-5-8(2)15-9/h4-6H,3,7H2,1-2H3,(H5,12,13,14,16)
InChIKeySUVNQBFZVLBVGE-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.42
Rot. Bonds3

About 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine

3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 83036577) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID83036577
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C11H18N6/c1-3-17(11(14)16-10(12)13)7-9-6-4-5-8(2)15-9/h4-6H,3,7H2,1-2H3,(H5,12,13,14,16)
InChIKeySUVNQBFZVLBVGE-UHFFFAOYSA-N
XLogP0.42
TPSA104.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
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

(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-propan-2-ylthiourea
CID 113254044
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
CID 79267977
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 62360074
2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
CID 81038338
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
CID 113459497
3-(diaminomethylidene)-1,1-bis(furan-2-ylmethyl)guanidine
CID 11971724

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 83036577) is 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine is [H]/N=C(\N=C(N)N)N(CC)Cc1cccc(C)n1.
What is the InChIKey of 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is SUVNQBFZVLBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-17(11(14)16-10(12)13)7-9-6-4-5-8(2)15-9/h4-6H,3,7H2,1-2H3,(H5,12,13,14,16).
What are the key properties of 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine?
3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 234.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 83036577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).