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

C11H26N4O — CID 104883492

IUPAC3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N\C(C)COC)NN
InChIInChI=1S/C11H26N4O/c1-6-15(7-9(2)3)11(14-12)13-10(4)8-16-5/h9-10H,6-8,12H2,1-5H3,(H,13,14)
InChIKeyYNSSKZOBSUDFCF-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.82
Rot. Bonds6

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

3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine (PubChem CID 104883492) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
PubChem CID104883492
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
SMILESCCN(CC(C)C)/C(=N\C(C)COC)NN
InChIInChI=1S/C11H26N4O/c1-6-15(7-9(2)3)11(14-12)13-10(4)8-16-5/h9-10H,6-8,12H2,1-5H3,(H,13,14)
InChIKeyYNSSKZOBSUDFCF-UHFFFAOYSA-N
XLogP0.82
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.82
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-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104887549
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104883526
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 104884798
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
CID 116515417

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine (CID 104883492) is 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine is CCN(CC(C)C)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
The InChIKey is YNSSKZOBSUDFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-6-15(7-9(2)3)11(14-12)13-10(4)8-16-5/h9-10H,6-8,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine?
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine has a molecular weight of 230.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 104883492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).