1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine

C9H22N4O — CID 104888568

IUPAC1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)(C)COC
InChIInChI=1S/C9H22N4O/c1-5-6-11-8(13-10)12-9(2,3)7-14-4/h5-7,10H2,1-4H3,(H2,11,12,13)
InChIKeyKKQKDFQODSXARZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.23
Rot. Bonds5

About 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine

1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine (PubChem CID 104888568) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine
PubChem CID104888568
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\NN)NC(C)(C)COC
InChIInChI=1S/C9H22N4O/c1-5-6-11-8(13-10)12-9(2,3)7-14-4/h5-7,10H2,1-4H3,(H2,11,12,13)
InChIKeyKKQKDFQODSXARZ-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-tert-butyl-2-propylguanidine
CID 104882795
2-[(N-amino-N'-propylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885506
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 115629389
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-(3-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 114262957
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-propylguanidine
CID 116513185
1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine
CID 102909060
1-ethyl-3-(1-methoxy-2-methylpropan-2-yl)urea
CID 115690657
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine (CID 104888568) is 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine is CCC/N=C(\NN)NC(C)(C)COC.
What is the InChIKey of 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine?
The InChIKey is KKQKDFQODSXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-5-6-11-8(13-10)12-9(2,3)7-14-4/h5-7,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine?
1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxy-2-methylpropan-2-yl)-2-propylguanidine is sourced from PubChem (CID 104888568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).