2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine

C17H35N5O — CID 110972703

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCCN1CCOCC1
InChIInChI=1S/C17H35N5O/c1-4-18-17(20-14-15(2)21(3)16-6-7-16)19-8-5-9-22-10-12-23-13-11-22/h15-16H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeySCXLUMVPGUOFDP-UHFFFAOYSA-N
MW325.50 g/mol
LogP0.75
Rot. Bonds9

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110972703) has the molecular formula C17H35N5O and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110972703
Molecular FormulaC17H35N5O
Molecular Weight325.50 g/mol
Exact Mass325.28
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)C1CC1)NCCCN1CCOCC1
InChIInChI=1S/C17H35N5O/c1-4-18-17(20-14-15(2)21(3)16-6-7-16)19-8-5-9-22-10-12-23-13-11-22/h15-16H,4-14H2,1-3H3,(H2,18,19,20)
InChIKeySCXLUMVPGUOFDP-UHFFFAOYSA-N
XLogP0.75
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111388026
2-[2-(diethylamino)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971690
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
CID 111129457
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972920
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147229
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187880
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972815
1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
CID 111393037
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409631
2-(cyclopropylmethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111870289
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547812
1-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110973048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine (CID 110972703) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N(C)C1CC1)NCCCN1CCOCC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is SCXLUMVPGUOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O/c1-4-18-17(20-14-15(2)21(3)16-6-7-16)19-8-5-9-22-10-12-23-13-11-22/h15-16H,4-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 325.50 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110972703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).