3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine

C13H30N4O — CID 104884792

IUPAC3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCCC(CC)CN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C13H30N4O/c1-6-12(7-2)9-17(8-3)13(16-14)15-11(4)10-18-5/h11-12H,6-10,14H2,1-5H3,(H,15,16)
InChIKeyAPHYENODVPUIDH-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.60
Rot. Bonds8

About 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine

3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 104884792) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
PubChem CID104884792
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
SMILESCCC(CC)CN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C13H30N4O/c1-6-12(7-2)9-17(8-3)13(16-14)15-11(4)10-18-5/h11-12H,6-10,14H2,1-5H3,(H,15,16)
InChIKeyAPHYENODVPUIDH-UHFFFAOYSA-N
XLogP1.60
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 104884798
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104883526
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104887549
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 62361905
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine (CID 104884792) is 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine is CCC(CC)CN(CC)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is APHYENODVPUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-6-12(7-2)9-17(8-3)13(16-14)15-11(4)10-18-5/h11-12H,6-10,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine?
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 258.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104884792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).