1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine

C11H23N3O — CID 84584168

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCCOCC1CC1
InChIInChI=1S/C11H23N3O/c1-3-13-11(12-2)14-7-4-8-15-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyIWHMNBHCHOZKOD-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine

1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine (PubChem CID 84584168) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
PubChem CID84584168
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)NCCCOCC1CC1
InChIInChI=1S/C11H23N3O/c1-3-13-11(12-2)14-7-4-8-15-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyIWHMNBHCHOZKOD-UHFFFAOYSA-N
XLogP0.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
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

1-butyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111151016
1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111763261
1-[3-(cyclopropylmethoxy)propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111391352
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111392715
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111786797
1-[3-(cyclopropylmethoxy)propyl]-3-[4-(diethylamino)butyl]-2-methylguanidine
CID 111391801
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111391574
1-[3-(cyclopropylmethoxy)propyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111392351
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002553
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111768537
ethyl 4-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 111390553

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine (CID 84584168) is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine is CCN/C(=N\C)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine?
The InChIKey is IWHMNBHCHOZKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-11(12-2)14-7-4-8-15-9-10-5-6-10/h10H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine?
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine has a molecular weight of 213.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine is sourced from PubChem (CID 84584168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).