3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine

C12H25N3 — CID 99850542

IUPAC3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine
SMILESCCN/C(=N/CC1(CC)CCC1)N(C)C
InChIInChI=1S/C12H25N3/c1-5-12(8-7-9-12)10-14-11(13-6-2)15(3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeyLLFUQPBCKJHUTA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.09
Rot. Bonds4

About 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine

3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine (PubChem CID 99850542) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine
PubChem CID99850542
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine
SMILESCCN/C(=N/CC1(CC)CCC1)N(C)C
InChIInChI=1S/C12H25N3/c1-5-12(8-7-9-12)10-14-11(13-6-2)15(3)4/h5-10H2,1-4H3,(H,13,14)
InChIKeyLLFUQPBCKJHUTA-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine?
The IUPAC name of 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine (CID 99850542) is 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine.
What is the SMILES notation for 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine?
The canonical SMILES for 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine is CCN/C(=N/CC1(CC)CCC1)N(C)C.
What is the InChIKey of 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine?
The InChIKey is LLFUQPBCKJHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-12(8-7-9-12)10-14-11(13-6-2)15(3)4/h5-10H2,1-4H3,(H,13,14).
What are the key properties of 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine?
3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(1-ethylcyclobutyl)methyl]-1,1-dimethylguanidine is sourced from PubChem (CID 99850542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).