1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide

C12H26IN3 — CID 111970327

IUPAC1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1(C(C)C)CC1.I
InChIInChI=1S/C12H25N3.HI/c1-5-15(6-2)11(13)14-9-12(7-8-12)10(3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H
InChIKeyIIADBMCPWLULBA-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.70
Rot. Bonds5

About 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide

1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111970327) has the molecular formula C12H26IN3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111970327
Molecular FormulaC12H26IN3
Molecular Weight339.27 g/mol
Exact Mass339.12
IUPAC Name1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1(C(C)C)CC1.I
InChIInChI=1S/C12H25N3.HI/c1-5-15(6-2)11(13)14-9-12(7-8-12)10(3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H
InChIKeyIIADBMCPWLULBA-UHFFFAOYSA-N
XLogP2.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.70
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970171
1,1-diethyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722138
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111098218
1-hexyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970331
1,1-diethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111098384
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
CID 122098460
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1,1-diethylguanidine;hydroiodide
CID 111097268
1-(3,5-dimethylphenyl)-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970363
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide (CID 111970327) is 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CC1(C(C)C)CC1.I.
What is the InChIKey of 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is IIADBMCPWLULBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-5-15(6-2)11(13)14-9-12(7-8-12)10(3)4;/h10H,5-9H2,1-4H3,(H2,13,14);1H.
What are the key properties of 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111970327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).