1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine

C13H29N5O — CID 104885276

IUPAC1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine
SMILESCOCCCN/C(=N\CC(C)N1CCCCC1)NN
InChIInChI=1S/C13H29N5O/c1-12(18-8-4-3-5-9-18)11-16-13(17-14)15-7-6-10-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyGCUNWLDENHGIKB-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.31
Rot. Bonds7

About 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine

1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine (PubChem CID 104885276) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine
PubChem CID104885276
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine
SMILESCOCCCN/C(=N\CC(C)N1CCCCC1)NN
InChIInChI=1S/C13H29N5O/c1-12(18-8-4-3-5-9-18)11-16-13(17-14)15-7-6-10-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyGCUNWLDENHGIKB-UHFFFAOYSA-N
XLogP0.31
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.31
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-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885271
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 110976653
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110976383
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111652146
1-amino-2-[(1-ethylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104885128
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111653673
2-(2-piperidin-1-ylpropyl)guanidine
CID 62358451
1-(3-ethoxypropyl)-3-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111221905
1-(3-butoxypropyl)-3-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111238743
1-ethyl-3-(3-methoxypropyl)-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 110976593

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine (CID 104885276) is 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine is COCCCN/C(=N\CC(C)N1CCCCC1)NN.
What is the InChIKey of 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine?
The InChIKey is GCUNWLDENHGIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-12(18-8-4-3-5-9-18)11-16-13(17-14)15-7-6-10-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine?
1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 104885276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).