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

C13H28N4 — CID 111026325

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H28N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16)
InChIKeyZQQCAMYRTPJFAH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.59
Rot. Bonds7

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

1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111026325) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111026325
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H28N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16)
InChIKeyZQQCAMYRTPJFAH-UHFFFAOYSA-N
XLogP1.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803219
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803220
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
CID 163970964
1-(2-Aminoethyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879370
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54738276
1-[2-[Di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 55064096
1-[2-[Di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 62358802
2-[2-(Diethylamino)ethyl]-1-propan-2-ylguanidine
CID 62361498
2-[2-[Di(propan-2-yl)amino]ethyl]-1-ethylguanidine
CID 62361945
1-[2-[Di(propan-2-yl)amino]ethyl]-2-propylguanidine
CID 62362165
2-[2-[Di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine
CID 62362166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111026325) is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is ZQQCAMYRTPJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111026325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).