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

C14H30N4O — CID 111149772

IUPAC1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCN(CCOC)C1CC1
InChIInChI=1S/C14H30N4O/c1-4-5-8-16-14(15-2)17-9-10-18(11-12-19-3)13-6-7-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyWTRHPVACFKUBQC-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.06
Rot. Bonds10

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

1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine (PubChem CID 111149772) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
PubChem CID111149772
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCN(CCOC)C1CC1
InChIInChI=1S/C14H30N4O/c1-4-5-8-16-14(15-2)17-9-10-18(11-12-19-3)13-6-7-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyWTRHPVACFKUBQC-UHFFFAOYSA-N
XLogP1.06
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982416
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405610
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416542
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999621
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111130336
1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765
1-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405274
1-[2-(4-chlorophenyl)ethyl]-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111196783
1-[2-(2-chlorophenyl)ethyl]-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
CID 111883087
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111899058
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941146
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111161319

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine (CID 111149772) is 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine is CCCCN/C(=N\C)NCCN(CCOC)C1CC1.
What is the InChIKey of 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine?
The InChIKey is WTRHPVACFKUBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-5-8-16-14(15-2)17-9-10-18(11-12-19-3)13-6-7-13/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine?
1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine has a molecular weight of 270.42 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 111149772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).