3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine

C12H27N5O — CID 104883187

IUPAC3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESCOCC(C)/N=C(\NN)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H27N5O/c1-10(9-18-4)14-12(15-13)17(3)11-5-7-16(2)8-6-11/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyFHRAMONDZMYYAY-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.13
Rot. Bonds4

About 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine

3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine (PubChem CID 104883187) has the molecular formula C12H27N5O and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
PubChem CID104883187
Molecular FormulaC12H27N5O
Molecular Weight257.38 g/mol
Exact Mass257.22
IUPAC Name3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESCOCC(C)/N=C(\NN)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H27N5O/c1-10(9-18-4)14-12(15-13)17(3)11-5-7-16(2)8-6-11/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyFHRAMONDZMYYAY-UHFFFAOYSA-N
XLogP-0.13
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-(1-methoxypropan-2-yl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887063
N-amino-N'-(1-methoxypropan-2-yl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887093
N-amino-N'-ethyl-3-methoxypiperidine-1-carboximidamide
CID 102972036
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-amino-3-methoxy-N'-propylpiperidine-1-carboximidamide
CID 102972040
N-amino-3-methoxy-N'-(2-methoxyethyl)piperidine-1-carboximidamide
CID 102972041
N-amino-N'-cyclopropyl-3-methoxypiperidine-1-carboximidamide
CID 102972042
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102972044
N-amino-N'-butyl-3-methoxypiperidine-1-carboximidamide
CID 102972045
N-amino-N'-cyclopentyl-3-methoxypiperidine-1-carboximidamide
CID 102972046
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
CID 102999143

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine (CID 104883187) is 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine is COCC(C)/N=C(\NN)N(C)C1CCN(C)CC1.
What is the InChIKey of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is FHRAMONDZMYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O/c1-10(9-18-4)14-12(15-13)17(3)11-5-7-16(2)8-6-11/h10-11H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 257.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 104883187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).