1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine

C14H24N4O2 — CID 116513645

IUPAC1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
SMILESCCCOc1ccc(N/C(=N/C(C)COC)NN)cc1
InChIInChI=1S/C14H24N4O2/c1-4-9-20-13-7-5-12(6-8-13)17-14(18-15)16-11(2)10-19-3/h5-8,11H,4,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyJKEHJNYSUDWXDE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds7

About 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine

1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine (PubChem CID 116513645) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
PubChem CID116513645
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
SMILESCCCOc1ccc(N/C(=N/C(C)COC)NN)cc1
InChIInChI=1S/C14H24N4O2/c1-4-9-20-13-7-5-12(6-8-13)17-14(18-15)16-11(2)10-19-3/h5-8,11H,4,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyJKEHJNYSUDWXDE-UHFFFAOYSA-N
XLogP1.74
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.74
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-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-methyl-3-(4-propoxyphenyl)guanidine
CID 116510801
1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
CID 116513647
1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
CID 107587201
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
1-propan-2-yl-3-(4-propoxyphenyl)thiourea
CID 113345148
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
N-propan-2-yl-4-propoxyaniline
CID 21311809
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine (CID 116513645) is 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine is CCCOc1ccc(N/C(=N/C(C)COC)NN)cc1.
What is the InChIKey of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine?
The InChIKey is JKEHJNYSUDWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-9-20-13-7-5-12(6-8-13)17-14(18-15)16-11(2)10-19-3/h5-8,11H,4,9-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine?
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine is sourced from PubChem (CID 116513645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).