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

C14H28N4 — CID 110980243

IUPAC2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)N1CCCC(C)C1
InChIInChI=1S/C14H28N4/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)
InChIKeyQMASVPOFYSDAPQ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.46
Rot. Bonds5

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

2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine (PubChem CID 110980243) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
PubChem CID110980243
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC(C)N1CCCC(C)C1
InChIInChI=1S/C14H28N4/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)
InChIKeyQMASVPOFYSDAPQ-UHFFFAOYSA-N
XLogP1.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.46
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

(3S)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816799
(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816800
N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 121514355
1-Cyano-1-(piperidin-4-ylmethyl)-2-prop-2-enylguanidine
CID 88671943
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
6-[3-(methylamino)piperidin-1-yl]-4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 153884649
1-Prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497281
5-(2-Methylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497308
9-Methyl-1-prop-2-enyl-1,3,9-triazaspiro[4.5]dec-2-en-2-amine
CID 81715144
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine (CID 110980243) is 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC(C)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
The InChIKey is QMASVPOFYSDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/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).
What are the key properties of 2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine?
2-methyl-1-[2-(3-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine has a molecular weight of 252.41 g/mol, XLogP of 1.46, 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 is sourced from PubChem (CID 110980243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).