2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine

C10H22N4 — CID 122413000

IUPAC2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N4/c1-8(2)14-6-4-9(5-7-14)13-10(11)12-3/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyOQEFMIMYECIYGG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine

2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 122413000) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID122413000
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\N)NC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N4/c1-8(2)14-6-4-9(5-7-14)13-10(11)12-3/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyOQEFMIMYECIYGG-UHFFFAOYSA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
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'}

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Related Compounds

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
4-amino-N-(3-fluorobutan-2-ylimino)-N'-methylpiperidine-1-carboximidamide
CID 173670477
4-amino-N-(1-fluoroethylimino)-N'-methylpiperidine-1-carboximidamide
CID 173811901
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
1,1,3,3-Tetramethyl-2-[2,5,6-tris[bis(dimethylamino)methylideneamino]-1,2,3,4,5,6-hexahydropyridin-1-ium-4-ylium-3-yl]guanidine
CID 138982106
N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
CID 162405389
2-Methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474343
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018968
2-Methyl-1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018969
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018970
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111018971
1-Ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 122413000) is 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine is C/N=C(\N)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is OQEFMIMYECIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)14-6-4-9(5-7-14)13-10(11)12-3/h8-9H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine?
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 122413000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).