1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine

C11H25N5O — CID 104883732

IUPAC1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
SMILESCOCCC/N=C(\NN)NC1CCN(C)CC1
InChIInChI=1S/C11H25N5O/c1-16-7-4-10(5-8-16)14-11(15-12)13-6-3-9-17-2/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyFNWGBGQDHDFBBY-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.47
Rot. Bonds5

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

1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine (PubChem CID 104883732) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
PubChem CID104883732
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
SMILESCOCCC/N=C(\NN)NC1CCN(C)CC1
InChIInChI=1S/C11H25N5O/c1-16-7-4-10(5-8-16)14-11(15-12)13-6-3-9-17-2/h10H,3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyFNWGBGQDHDFBBY-UHFFFAOYSA-N
XLogP-0.47
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
CID 104931190
1-ethyl-2-(3-methoxypropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110974125
1-amino-3-(3-methoxy-2,2-dimethylcyclobutyl)-2-(3-methoxypropyl)guanidine
CID 114121174
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
CID 104888654
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine (CID 104883732) is 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine is COCCC/N=C(\NN)NC1CCN(C)CC1.
What is the InChIKey of 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is FNWGBGQDHDFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-16-7-4-10(5-8-16)14-11(15-12)13-6-3-9-17-2/h10H,3-9,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine?
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 243.35 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 104883732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).