2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine

C14H30N4O — CID 111228645

IUPAC2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C14H30N4O/c1-5-6-16-14(15-4)17-11-13(12(2)3)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyHCISARZQBSAPAT-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.92
Rot. Bonds6

About 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine (PubChem CID 111228645) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
PubChem CID111228645
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C14H30N4O/c1-5-6-16-14(15-4)17-11-13(12(2)3)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyHCISARZQBSAPAT-UHFFFAOYSA-N
XLogP0.92
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179247
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
CID 111228651
1-(2-ethylsulfonylethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111932030
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111693784
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111930526
2-methyl-1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-propylguanidine
CID 111225783
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931998
1-(cyclopropylmethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111868560
1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110967142
1-[3-(methanesulfonamido)propyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931914
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine?
The IUPAC name of 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine (CID 111228645) is 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine?
The canonical SMILES for 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine is CCCN/C(=N\C)NCC(C(C)C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine?
The InChIKey is HCISARZQBSAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-5-6-16-14(15-4)17-11-13(12(2)3)18-7-9-19-10-8-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine?
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine has a molecular weight of 270.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine is sourced from PubChem (CID 111228645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).