1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine

C16H25N3 — CID 110967064

IUPAC1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(/NCC1(c2ccccc2)CC1)NC(C)(C)C
InChIInChI=1S/C16H25N3/c1-15(2,3)19-14(17-4)18-12-16(10-11-16)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H2,17,18,19)
InChIKeyUGWMVKXGXRDVJV-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.68
Rot. Bonds3

About 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine

1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine (PubChem CID 110967064) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
PubChem CID110967064
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(/NCC1(c2ccccc2)CC1)NC(C)(C)C
InChIInChI=1S/C16H25N3/c1-15(2,3)19-14(17-4)18-12-16(10-11-16)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H2,17,18,19)
InChIKeyUGWMVKXGXRDVJV-UHFFFAOYSA-N
XLogP2.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.68
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'}

Analyze 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine 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

1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 110967063
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
1-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111149436
1-(2-methoxyethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 75532561
1-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 75532682
2-methyl-N-[2-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111856360
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111265852
1-(2-ethoxyethyl)-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855857
1-[2-(diethylamino)ethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856153
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111856173
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111136527

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine (CID 110967064) is 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine is C/N=C(/NCC1(c2ccccc2)CC1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
The InChIKey is UGWMVKXGXRDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-15(2,3)19-14(17-4)18-12-16(10-11-16)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine?
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 110967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).