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

C17H28N4 — CID 110981969

IUPAC1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C17H28N4/c1-5-13-19-17(18-4)20-14-16(21(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,16H,1,6-7,13-14H2,2-4H3,(H2,18,19,20)
InChIKeyVOEHJGQXRPAOAM-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.42
Rot. Bonds8

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

1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110981969) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110981969
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C17H28N4/c1-5-13-19-17(18-4)20-14-16(21(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,16H,1,6-7,13-14H2,2-4H3,(H2,18,19,20)
InChIKeyVOEHJGQXRPAOAM-UHFFFAOYSA-N
XLogP2.42
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.42
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-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
CID 111010920
1-[2-(diethylamino)-2-phenylethyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111010701
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111011272
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111010990
3-[[N-[2-(diethylamino)-2-phenylethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111011259
1-[2-(diethylamino)-2-phenylethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111010830
2-methyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 110981972
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111011225
1-butyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 111151724
1-[2-(diethylamino)-2-phenylethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine
CID 111011051
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111790750
1-[2-(diethylamino)-2-phenylethyl]-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109391369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine (CID 110981969) is 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is VOEHJGQXRPAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-13-19-17(18-4)20-14-16(21(6-2)7-3)15-11-9-8-10-12-15/h5,8-12,16H,1,6-7,13-14H2,2-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine?
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110981969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).