2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide

C14H29IN4 — CID 110980230

IUPAC2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C14H28N4.HI/c1-5-9-16-14(15-4)17-11-13(3)18-10-7-6-8-12(18)2;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyBTNNQYPMNALMGV-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide

2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980230) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980230
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCCCC1C.I
InChIInChI=1S/C14H28N4.HI/c1-5-9-16-14(15-4)17-11-13(3)18-10-7-6-8-12(18)2;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyBTNNQYPMNALMGV-UHFFFAOYSA-N
XLogP2.22
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.22
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

N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376448
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376940
2-Methyl-1-(1-prop-2-enylpiperidin-4-yl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995260
2-Methyl-1-(1-prop-2-enylpiperidin-4-yl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111995261
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-(1-prop-2-enylpiperidin-4-yl)guanidine;hydroiodide
CID 112031048
1-Ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-(1-prop-2-enylpiperidin-4-yl)guanidine
CID 112031049
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
CID 173471221
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54738276
1-Butan-2-yl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 75482072
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 75482091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide (CID 110980230) is 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC(C)N1CCCCC1C.I.
What is the InChIKey of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is BTNNQYPMNALMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-5-9-16-14(15-4)17-11-13(3)18-10-7-6-8-12(18)2;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).