1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine

C12H26N4 — CID 62362167

IUPAC1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CC/N=C(\N)NC1CC1)C(C)C
InChIInChI=1S/C12H26N4/c1-9(2)16(10(3)4)8-7-14-12(13)15-11-5-6-11/h9-11H,5-8H2,1-4H3,(H3,13,14,15)
InChIKeyBJOQFDZLIAEMLT-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.17
Rot. Bonds6

About 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine

1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine (PubChem CID 62362167) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
PubChem CID62362167
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CC/N=C(\N)NC1CC1)C(C)C
InChIInChI=1S/C12H26N4/c1-9(2)16(10(3)4)8-7-14-12(13)15-11-5-6-11/h9-11H,5-8H2,1-4H3,(H3,13,14,15)
InChIKeyBJOQFDZLIAEMLT-UHFFFAOYSA-N
XLogP1.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.17
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-[[(E)-N'-methylcarbamimidoyl]-sec-butyl-amino]ethyl]-1-sec-butyl-guanidine
CID 469977
1-butan-2-yl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
CID 138502581
2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
CID 174028362
1-[2-[Cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471302
1-[2-[Cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109471303
1-[2-[Butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472457
1-[2-[Butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473983
1-[2-[Ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473985
2-[2-[Cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474008
2-[2-[Cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474009
1-[2-[Cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474510
1-[2-[Cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474511

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine (CID 62362167) is 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine is CC(C)N(CC/N=C(\N)NC1CC1)C(C)C.
What is the InChIKey of 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is BJOQFDZLIAEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-9(2)16(10(3)4)8-7-14-12(13)15-11-5-6-11/h9-11H,5-8H2,1-4H3,(H3,13,14,15).
What are the key properties of 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 62362167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).