1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine

C12H25N3 — CID 111547271

IUPAC1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NC(C)(C)C
InChIInChI=1S/C12H25N3/c1-6-7-9-8-10(9)14-11(13-5)15-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyKTHMSRTYHIUZDL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.14
Rot. Bonds3

About 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine

1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine (PubChem CID 111547271) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine
PubChem CID111547271
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NC(C)(C)C
InChIInChI=1S/C12H25N3/c1-6-7-9-8-10(9)14-11(13-5)15-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyKTHMSRTYHIUZDL-UHFFFAOYSA-N
XLogP2.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.14
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'}

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Related Compounds

2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713631
1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111990629
1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111713493
2-methyl-1-(3-phenoxypropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713555
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713494
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
CID 103812752
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
CID 111713768
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
CID 111713586
1-ethyl-2-(2-methylsulfanylethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713572
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713681

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine (CID 111547271) is 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/C)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine?
The InChIKey is KTHMSRTYHIUZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-6-7-9-8-10(9)14-11(13-5)15-12(2,3)4/h9-10H,6-8H2,1-5H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine?
1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.14, 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-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111547271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).