1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide

C12H26IN3 — CID 111970175

IUPAC1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC1(C(C)C)CC1.I
InChIInChI=1S/C12H25N3.HI/c1-5-10(4)15-11(13)14-8-12(6-7-12)9(2)3;/h9-10H,5-8H2,1-4H3,(H3,13,14,15);1H
InChIKeyDQGPFKAOPWNZTA-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.74
Rot. Bonds5

About 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide

1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111970175) has the molecular formula C12H26IN3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111970175
Molecular FormulaC12H26IN3
Molecular Weight339.27 g/mol
Exact Mass339.12
IUPAC Name1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC1(C(C)C)CC1.I
InChIInChI=1S/C12H25N3.HI/c1-5-10(4)15-11(13)14-8-12(6-7-12)9(2)3;/h9-10H,5-8H2,1-4H3,(H3,13,14,15);1H
InChIKeyDQGPFKAOPWNZTA-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.74
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': 'iodine', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970327
1,3-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970171
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168
1-butan-2-yl-2-[(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]guanidine;hydroiodide
CID 122125726
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661
1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 110927047
1-butan-2-yl-2-[3-(dipropylamino)propyl]guanidine;hydroiodide
CID 110935038
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
1-butan-2-yl-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110920553

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide (CID 111970175) is 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide is CCC(C)N/C(N)=N/CC1(C(C)C)CC1.I.
What is the InChIKey of 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is DQGPFKAOPWNZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-5-10(4)15-11(13)14-8-12(6-7-12)9(2)3;/h9-10H,5-8H2,1-4H3,(H3,13,14,15);1H.
What are the key properties of 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide?
1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111970175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).