1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine

C11H26N4O — CID 104886038

IUPAC1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
SMILESCCC(CC)C(C)N/C(=N/CCOC)NN
InChIInChI=1S/C11H26N4O/c1-5-10(6-2)9(3)14-11(15-12)13-7-8-16-4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15)
InChIKeyTXIXWKMSABRUGD-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.87
Rot. Bonds7

About 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine

1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine (PubChem CID 104886038) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
PubChem CID104886038
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
SMILESCCC(CC)C(C)N/C(=N/CCOC)NN
InChIInChI=1S/C11H26N4O/c1-5-10(6-2)9(3)14-11(15-12)13-7-8-16-4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15)
InChIKeyTXIXWKMSABRUGD-UHFFFAOYSA-N
XLogP0.87
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.87
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-3-(3-ethylpentan-2-yl)-2-(2-methylpropyl)guanidine
CID 104886036
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-3-[1-(4-fluorophenyl)propan-2-yl]-2-(2-methoxyethyl)guanidine
CID 116515016
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine
CID 116513293
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
1-amino-3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxypropyl)guanidine
CID 104885248
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
1-amino-3-(1-cyclopropylpropan-2-yl)-2-(3-methoxypropyl)guanidine
CID 104886210
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine (CID 104886038) is 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine is CCC(CC)C(C)N/C(=N/CCOC)NN.
What is the InChIKey of 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine?
The InChIKey is TXIXWKMSABRUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-5-10(6-2)9(3)14-11(15-12)13-7-8-16-4/h9-10H,5-8,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine?
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine has a molecular weight of 230.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 104886038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).