2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C12H27IN4 — CID 110981926

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C)(C)N(C)C)NCC.I
InChIInChI=1S/C12H26N4.HI/c1-7-9-14-11(13-8-2)15-10-12(3,4)16(5)6;/h7H,1,8-10H2,2-6H3,(H2,13,14,15);1H
InChIKeyKMNWUSDNBQYTMX-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110981926) has the molecular formula C12H27IN4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110981926
Molecular FormulaC12H27IN4
Molecular Weight354.28 g/mol
Exact Mass354.13
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(C)(C)N(C)C)NCC.I
InChIInChI=1S/C12H26N4.HI/c1-7-9-14-11(13-8-2)15-10-12(3,4)16(5)6;/h7H,1,8-10H2,2-6H3,(H2,13,14,15);1H
InChIKeyKMNWUSDNBQYTMX-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136926188
1,3-Ditert-butyl-2-prop-2-enylguanidine
CID 59816771
1-Tert-butyl-2-methyl-3-prop-2-enylguanidine
CID 117759033
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
N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 135626028
N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
CID 137139798
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
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 54732009
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54732010
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 75482091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 110981926) is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CC(C)(C)N(C)C)NCC.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is KMNWUSDNBQYTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4.HI/c1-7-9-14-11(13-8-2)15-10-12(3,4)16(5)6;/h7H,1,8-10H2,2-6H3,(H2,13,14,15);1H.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 354.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110981926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).