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

C12H26N4 — CID 110981507

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H26N4/c1-7-8-14-11(13-4)15-9-12(2,3)10-16(5)6/h7H,1,8-10H2,2-6H3,(H2,13,14,15)
InChIKeyYDRMRKQFAUITKU-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.93
Rot. Bonds6

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

1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110981507) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110981507
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H26N4/c1-7-8-14-11(13-4)15-9-12(2,3)10-16(5)6/h7H,1,8-10H2,2-6H3,(H2,13,14,15)
InChIKeyYDRMRKQFAUITKU-UHFFFAOYSA-N
XLogP0.93
TPSA39.66 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 ≤ 50.93
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 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine (CID 110981507) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC(C)(C)CN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is YDRMRKQFAUITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-7-8-14-11(13-4)15-9-12(2,3)10-16(5)6/h7H,1,8-10H2,2-6H3,(H2,13,14,15).
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 226.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine is sourced from PubChem (CID 110981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).