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

C9H22N4O2 — CID 102702156

IUPAC1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
SMILESCOCCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C9H22N4O2/c1-8(15-3)7-12-9(13-10)11-5-4-6-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGMPMKSRFIUJXAM-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.53
Rot. Bonds7

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

1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine (PubChem CID 102702156) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
PubChem CID102702156
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC Name1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
SMILESCOCCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C9H22N4O2/c1-8(15-3)7-12-9(13-10)11-5-4-6-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyGMPMKSRFIUJXAM-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.53
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-(3-methoxypropyl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885276
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280948
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-2-[(1,1-dioxothiolan-2-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104887521
1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886195
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
1-amino-2-[(1-ethylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104885128

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine (CID 102702156) is 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine is COCCCN/C(=N\CC(C)OC)NN.
What is the InChIKey of 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine?
The InChIKey is GMPMKSRFIUJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2/c1-8(15-3)7-12-9(13-10)11-5-4-6-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine?
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine has a molecular weight of 218.30 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine is sourced from PubChem (CID 102702156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).