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

C14H29IN4 — CID 110980242

IUPAC2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCCC(C)C1.I
InChIInChI=1S/C14H28N4.HI/c1-5-8-16-14(15-4)17-10-13(3)18-9-6-7-12(2)11-18;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyQBTVJRYFCOSKTQ-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.08
Rot. Bonds5

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

2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110980242) has the molecular formula C14H29IN4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID110980242
Molecular FormulaC14H29IN4
Molecular Weight380.32 g/mol
Exact Mass380.14
IUPAC Name2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC(C)N1CCCC(C)C1.I
InChIInChI=1S/C14H28N4.HI/c1-5-8-16-14(15-4)17-10-13(3)18-9-6-7-12(2)11-18;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H
InChIKeyQBTVJRYFCOSKTQ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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-3-(trifluoromethyl)piperidine-1-carboximidamide;hydroiodide
CID 121514354
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 75482091
(3R,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905149
(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905150
(3R,5R)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905151
N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 99846274
1-Hept-6-enyl-1,2-dimethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 109483530
1-Hept-6-enyl-1,2-dimethyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109483531
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 109483750
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109483751
1-Hept-6-enyl-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109483866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide (CID 110980242) is 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC(C)N1CCCC(C)C1.I.
What is the InChIKey of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is QBTVJRYFCOSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.HI/c1-5-8-16-14(15-4)17-10-13(3)18-9-6-7-12(2)11-18;/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 380.32 g/mol, XLogP of 2.08, 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-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110980242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).