1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine

C12H26N4 — CID 110980185

IUPAC1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)N(CC)CC
InChIInChI=1S/C12H26N4/c1-6-9-14-12(13-5)15-10-11(4)16(7-2)8-3/h6,11H,1,7-10H2,2-5H3,(H2,13,14,15)
InChIKeyUXYHXBALQAJWGA-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.07
Rot. Bonds7

About 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine

1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110980185) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110980185
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)N(CC)CC
InChIInChI=1S/C12H26N4/c1-6-9-14-12(13-5)15-10-11(4)16(7-2)8-3/h6,11H,1,7-10H2,2-5H3,(H2,13,14,15)
InChIKeyUXYHXBALQAJWGA-UHFFFAOYSA-N
XLogP1.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.07
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

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136926188
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine
CID 136926189
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine
CID 67899455
N-[1-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69731760
2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylpent-4-en-2-amine
CID 69731763
N-pentyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 70555211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine (CID 110980185) is 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC(C)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is UXYHXBALQAJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-6-9-14-12(13-5)15-10-11(4)16(7-2)8-3/h6,11H,1,7-10H2,2-5H3,(H2,13,14,15).
What are the key properties of 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine?
1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110980185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).