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

C12H27IN4 — CID 110981506

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C12H26N4.HI/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);1H
InChIKeyLJXXQVJHMYACHJ-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.54
Rot. Bonds6

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

1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110981506) has the molecular formula C12H27IN4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110981506
Molecular FormulaC12H27IN4
Molecular Weight354.28 g/mol
Exact Mass354.13
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)(C)CN(C)C.I
InChIInChI=1S/C12H26N4.HI/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);1H
InChIKeyLJXXQVJHMYACHJ-UHFFFAOYSA-N
XLogP1.54
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 51.54
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982048
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925863
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
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,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 135626028
N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene
CID 143804175
4-N,4-N,6,6-tetramethyl-2-N-prop-2-enyl-1H-1,3,5-triazine-2,4-diamine
CID 176523233
4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537735
1-(3-Aminopropyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879372
Dimethyl-[methylamino-(prop-2-enylamino)methylidene]azanium
CID 102337416
3-[3-(Dimethylamino)-2,2-dimethylpropyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498071

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110981506) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC(C)(C)CN(C)C.I.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is LJXXQVJHMYACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.HI/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);1H.
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 354.28 g/mol, XLogP of 1.54, 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;hydroiodide is sourced from PubChem (CID 110981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).