1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine

C11H27N5O — CID 104882891

IUPAC1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC)CC/N=C(\NN)NC(C)COC
InChIInChI=1S/C11H27N5O/c1-5-16(6-2)8-7-13-11(15-12)14-10(3)9-17-4/h10H,5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyOIDIZPIQFSPFPR-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.23
Rot. Bonds8

About 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104882891) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104882891
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN(CC)CC/N=C(\NN)NC(C)COC
InChIInChI=1S/C11H27N5O/c1-5-16(6-2)8-7-13-11(15-12)14-10(3)9-17-4/h10H,5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyOIDIZPIQFSPFPR-UHFFFAOYSA-N
XLogP-0.23
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.23
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-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237729
N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
CID 114133586
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxypropyl)guanidine
CID 104885248
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine (CID 104882891) is 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine is CCN(CC)CC/N=C(\NN)NC(C)COC.
What is the InChIKey of 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is OIDIZPIQFSPFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c1-5-16(6-2)8-7-13-11(15-12)14-10(3)9-17-4/h10H,5-9,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 245.37 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).