1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine

C12H25N3 — CID 111158817

IUPAC1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine
SMILESCCCCN(C)/C(=N\CC)NC1CC1C
InChIInChI=1S/C12H25N3/c1-5-7-8-15(4)12(13-6-2)14-11-9-10(11)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyPMNHXPBUHNPASW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.09
Rot. Bonds5

About 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine

1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111158817) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine
PubChem CID111158817
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine
SMILESCCCCN(C)/C(=N\CC)NC1CC1C
InChIInChI=1S/C12H25N3/c1-5-7-8-15(4)12(13-6-2)14-11-9-10(11)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyPMNHXPBUHNPASW-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109483718
2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384235
1-butyl-2-ethyl-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111158545
3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483459
2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine
CID 111195864
3-[2-(4-bromophenyl)cyclopropyl]-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111159276
3-amino-2-ethyl-1-methyl-1-[(2-methylcyclopropyl)methyl]guanidine
CID 104886480
1-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-1-methylguanidine
CID 111159221
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555
1,2-dimethyl-1-pent-4-enyl-3-(2-propylcyclopropyl)guanidine
CID 109496868
1-butyl-3-ethyl-1-methyl-2-(3-methylbutyl)guanidine
CID 111160280
1-butyl-3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111159466

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine (CID 111158817) is 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine is CCCCN(C)/C(=N\CC)NC1CC1C.
What is the InChIKey of 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is PMNHXPBUHNPASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-7-8-15(4)12(13-6-2)14-11-9-10(11)3/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine?
1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111158817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).