3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine

C12H26N4O — CID 104887591

IUPAC3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine
SMILESCCCC/N=C(\NN)N(C)CCOCC1CC1
InChIInChI=1S/C12H26N4O/c1-3-4-7-14-12(15-13)16(2)8-9-17-10-11-5-6-11/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyZNLUGYNBDLPCJE-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.96
Rot. Bonds8

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

3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine (PubChem CID 104887591) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine
PubChem CID104887591
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine
SMILESCCCC/N=C(\NN)N(C)CCOCC1CC1
InChIInChI=1S/C12H26N4O/c1-3-4-7-14-12(15-13)16(2)8-9-17-10-11-5-6-11/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyZNLUGYNBDLPCJE-UHFFFAOYSA-N
XLogP0.96
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(3-ethoxypropyl)-1-methyl-1-pentylguanidine
CID 104883670
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propylguanidine
CID 104884628
3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-1,2-dimethylguanidine;hydroiodide
CID 75514182
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
CID 104883678
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493
3-amino-2-(3-ethoxypropyl)-1,1-dipropylguanidine
CID 104883379
3-amino-2-(3-ethoxypropyl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886040
3-amino-2-butyl-1-cyclohexyl-1-methylguanidine
CID 104883178

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine?
The IUPAC name of 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine (CID 104887591) is 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine.
What is the SMILES notation for 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine?
The canonical SMILES for 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine is CCCC/N=C(\NN)N(C)CCOCC1CC1.
What is the InChIKey of 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine?
The InChIKey is ZNLUGYNBDLPCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-4-7-14-12(15-13)16(2)8-9-17-10-11-5-6-11/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine?
3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine has a molecular weight of 242.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylguanidine is sourced from PubChem (CID 104887591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).