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

C11H24N4O — CID 104886210

IUPAC1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC(C)CC1CC1
InChIInChI=1S/C11H24N4O/c1-9(8-10-4-5-10)14-11(15-12)13-6-3-7-16-2/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyFJKLKGAKNCWQST-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.62
Rot. Bonds7

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

1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine (PubChem CID 104886210) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
PubChem CID104886210
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NC(C)CC1CC1
InChIInChI=1S/C11H24N4O/c1-9(8-10-4-5-10)14-11(15-12)13-6-3-7-16-2/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyFJKLKGAKNCWQST-UHFFFAOYSA-N
XLogP0.62
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-butyl-3-(1-cyclopropylpropan-2-yl)guanidine
CID 104886206
1-amino-3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxypropyl)guanidine
CID 104885248
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-3-(2-cyclobutylethyl)-2-(3-methoxypropyl)guanidine
CID 104888654
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
1-amino-3-[1-(diethylamino)propan-2-yl]-2-(3-ethoxypropyl)guanidine
CID 104885036
1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine (CID 104886210) is 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)NC(C)CC1CC1.
What is the InChIKey of 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine?
The InChIKey is FJKLKGAKNCWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(8-10-4-5-10)14-11(15-12)13-6-3-7-16-2/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine?
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 104886210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).