2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine

C13H28N4 — CID 110981509

IUPAC2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(C)(C)CN(C)C)NCC
InChIInChI=1S/C13H28N4/c1-7-9-15-12(14-8-2)16-10-13(3,4)11-17(5)6/h7H,1,8-11H2,2-6H3,(H2,14,15,16)
InChIKeyLSJHNJQACQITGZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine

2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine (PubChem CID 110981509) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine
PubChem CID110981509
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(C)(C)CN(C)C)NCC
InChIInChI=1S/C13H28N4/c1-7-9-15-12(14-8-2)16-10-13(3,4)11-17(5)6/h7H,1,8-11H2,2-6H3,(H2,14,15,16)
InChIKeyLSJHNJQACQITGZ-UHFFFAOYSA-N
XLogP1.32
TPSA39.66 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 ≤ 51.32
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

1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 110982049
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine
CID 136925864
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
1,2,3-Tris(prop-2-enyl)guanidine
CID 88197214
1-Tert-butyl-2-methyl-3-prop-2-enylguanidine
CID 117759033
1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118489715
1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
CID 118489738
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine
CID 135433419

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine?
The IUPAC name of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine (CID 110981509) is 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine.
What is the SMILES notation for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine?
The canonical SMILES for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine is C=CCN/C(=N/CC(C)(C)CN(C)C)NCC.
What is the InChIKey of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine?
The InChIKey is LSJHNJQACQITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-7-9-15-12(14-8-2)16-10-13(3,4)11-17(5)6/h7H,1,8-11H2,2-6H3,(H2,14,15,16).
What are the key properties of 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine?
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).