2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine

C14H30N4O — CID 111178514

IUPAC2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCCCCN1CCOCC1)NCC(C)C
InChIInChI=1S/C14H30N4O/c1-13(2)12-17-14(15-3)16-6-4-5-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyAZCUCDGKTHFKHB-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.92
Rot. Bonds7

About 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine

2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 111178514) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
PubChem CID111178514
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCCCCN1CCOCC1)NCC(C)C
InChIInChI=1S/C14H30N4O/c1-13(2)12-17-14(15-3)16-6-4-5-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeyAZCUCDGKTHFKHB-UHFFFAOYSA-N
XLogP0.92
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': '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-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111405835
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111010707
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318144
1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111023845
1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109389216
1-butyl-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111835246
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111007345
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
2-methyl-1-(4-morpholin-4-ylbutyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111644896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine (CID 111178514) is 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine is C/N=C(/NCCCCN1CCOCC1)NCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is AZCUCDGKTHFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2)12-17-14(15-3)16-6-4-5-7-18-8-10-19-11-9-18/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine?
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 111178514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).