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

C11H26N4O — CID 104883410

IUPAC3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C11H26N4O/c1-5-7-8-15(6-2)11(14-12)13-10(3)9-16-4/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyHTZJRXMGJDEMLY-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.96
Rot. Bonds7

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

3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (PubChem CID 104883410) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
PubChem CID104883410
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
SMILESCCCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C11H26N4O/c1-5-7-8-15(6-2)11(14-12)13-10(3)9-16-4/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyHTZJRXMGJDEMLY-UHFFFAOYSA-N
XLogP0.96
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine (CID 104883410) is 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine is CCCCN(CC)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
The InChIKey is HTZJRXMGJDEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-5-7-8-15(6-2)11(14-12)13-10(3)9-16-4/h10H,5-9,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine?
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine has a molecular weight of 230.36 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104883410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).