1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine

C17H34N4O — CID 111393037

IUPAC1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCCOCC1CC1
InChIInChI=1S/C17H34N4O/c1-4-18-17(19-10-5-11-22-13-15-6-7-15)20-12-14(2)21(3)16-8-9-16/h14-16H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyULAACMAEUAXNFY-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds11

About 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine

1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine (PubChem CID 111393037) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
PubChem CID111393037
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCCOCC1CC1
InChIInChI=1S/C17H34N4O/c1-4-18-17(19-10-5-11-22-13-15-6-7-15)20-12-14(2)21(3)16-8-9-16/h14-16H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyULAACMAEUAXNFY-UHFFFAOYSA-N
XLogP1.84
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
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

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409631
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
CID 111129457
1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111868987
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
CID 84584168
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646748
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111388026
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111392831
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111391349
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972703
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111988326
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111703207
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111392977

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine (CID 111393037) is 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine is CCN/C(=N\CC(C)N(C)C1CC1)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine?
The InChIKey is ULAACMAEUAXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-18-17(19-10-5-11-22-13-15-6-7-15)20-12-14(2)21(3)16-8-9-16/h14-16H,4-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine?
1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine has a molecular weight of 310.49 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine is sourced from PubChem (CID 111393037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).