1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine

C15H32N4O — CID 111225079

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN(C(C)C)C1CC1
InChIInChI=1S/C15H32N4O/c1-5-20-12-6-9-17-15(16-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyCWLABCZLHTZNIC-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.45
Rot. Bonds10

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine (PubChem CID 111225079) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
PubChem CID111225079
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN(C(C)C)C1CC1
InChIInChI=1S/C15H32N4O/c1-5-20-12-6-9-17-15(16-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyCWLABCZLHTZNIC-UHFFFAOYSA-N
XLogP1.45
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.45
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'}

Analyze 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-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

1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881739
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111609522
2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111221933
1-(3-ethoxypropyl)-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125195
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976015
1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111763261
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111223084
1-(3-ethoxypropyl)-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine
CID 111222757

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine (CID 111225079) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine is CCOCCCN/C(=N\C)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
The InChIKey is CWLABCZLHTZNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-20-12-6-9-17-15(16-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine has a molecular weight of 284.45 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine is sourced from PubChem (CID 111225079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).