1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

C13H29N5O — CID 104885769

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(C)CN1CCCC1)NN
InChIInChI=1S/C13H29N5O/c1-11(9-18-6-4-5-7-18)8-15-13(17-14)16-12(2)10-19-3/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyFHINLHNRBHCGDP-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.16
Rot. Bonds7

About 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 104885769) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID104885769
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(C)CN1CCCC1)NN
InChIInChI=1S/C13H29N5O/c1-11(9-18-6-4-5-7-18)8-15-13(17-14)16-12(2)10-19-3/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyFHINLHNRBHCGDP-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
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

1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885271
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110976383
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111836738
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 110976653
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002635
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110999867
1-[2-(azepan-1-yl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235502

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 104885769) is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is COCC(C)N/C(=N/CC(C)CN1CCCC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is FHINLHNRBHCGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-11(9-18-6-4-5-7-18)8-15-13(17-14)16-12(2)10-19-3/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 104885769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).