1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine

C15H32N4O — CID 110967142

IUPAC1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCC(C(C)C)N1CCOCC1)NC(C)(C)C
InChIInChI=1S/C15H32N4O/c1-12(2)13(19-7-9-20-10-8-19)11-17-14(16-6)18-15(3,4)5/h12-13H,7-11H2,1-6H3,(H2,16,17,18)
InChIKeyKHELGDUSCRRFRA-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.31
Rot. Bonds4

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

1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine (PubChem CID 110967142) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
PubChem CID110967142
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
SMILESC/N=C(/NCC(C(C)C)N1CCOCC1)NC(C)(C)C
InChIInChI=1S/C15H32N4O/c1-12(2)13(19-7-9-20-10-8-19)11-17-14(16-6)18-15(3,4)5/h12-13H,7-11H2,1-6H3,(H2,16,17,18)
InChIKeyKHELGDUSCRRFRA-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.31
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'}

Analyze 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine 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

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179247
1-(cyclopropylmethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111868560
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
CID 111228645
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-pentylguanidine;hydroiodide
CID 111129208
tert-butyl N-[3-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886554
1-(2-ethylsulfonylethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111932030
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111930526
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111930476
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342370
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine
CID 111690120
1-[(4-chlorophenyl)methyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111131390
1-tert-butyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110966180

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine (CID 110967142) is 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine is C/N=C(/NCC(C(C)C)N1CCOCC1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
The InChIKey is KHELGDUSCRRFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-12(2)13(19-7-9-20-10-8-19)11-17-14(16-6)18-15(3,4)5/h12-13H,7-11H2,1-6H3,(H2,16,17,18).
What are the key properties of 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine?
1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine has a molecular weight of 284.45 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 110967142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).