2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C12H26N4 — CID 111961691

IUPAC2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESC/N=C(\NCCN(C)C(C)C)NC1CC1C
InChIInChI=1S/C12H26N4/c1-9(2)16(5)7-6-14-12(13-4)15-11-8-10(11)3/h9-11H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyXKDMTYSIGXHMCM-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.90
Rot. Bonds5

About 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 111961691) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID111961691
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESC/N=C(\NCCN(C)C(C)C)NC1CC1C
InChIInChI=1S/C12H26N4/c1-9(2)16(5)7-6-14-12(13-4)15-11-8-10(11)3/h9-11H,6-8H2,1-5H3,(H2,13,14,15)
InChIKeyXKDMTYSIGXHMCM-UHFFFAOYSA-N
XLogP0.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(N-methylanilino)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962486
3-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111961161
1-(2-methoxyethyl)-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 110941688
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111719476
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962772
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019040
1-(5-methoxypentyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111961991
2-methyl-1-(2-methylcyclopropyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111962650
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962357
methyl 5-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]pentanoate
CID 111963053
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 111961691) is 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is C/N=C(\NCCN(C)C(C)C)NC1CC1C.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is XKDMTYSIGXHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-9(2)16(5)7-6-14-12(13-4)15-11-8-10(11)3/h9-11H,6-8H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 111961691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).