1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine

C12H25N3O — CID 111801937

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCOCC1CC1
InChIInChI=1S/C12H25N3O/c1-10(2)5-6-14-12(13)15-7-8-16-9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyFTULYERWZPNLQD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.36
Rot. Bonds8

About 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine

1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine (PubChem CID 111801937) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine
PubChem CID111801937
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCOCC1CC1
InChIInChI=1S/C12H25N3O/c1-10(2)5-6-14-12(13)15-7-8-16-9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyFTULYERWZPNLQD-UHFFFAOYSA-N
XLogP1.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
3-methylbutoxymethylcyclopropane
CID 58970607
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111392977
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
2-(3-methylbutyl)-1-[2-(4-methylphenoxy)ethyl]guanidine
CID 111026821
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111057263
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056738
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111768537
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine (CID 111801937) is 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine is CC(C)CC/N=C(\N)NCCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine?
The InChIKey is FTULYERWZPNLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)5-6-14-12(13)15-7-8-16-9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine?
1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 111801937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).