1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine

C19H40N4O3 — CID 111368677

IUPAC1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCCN/C(=N\CC(O)COCC(C)C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H40N4O3/c1-6-20-19(21-9-17(24)14-25-13-16(4)5)22-10-18-12-23(7-8-26-18)11-15(2)3/h15-18,24H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyMMYNYNRDNPPGDU-UHFFFAOYSA-N
MW372.55 g/mol
LogP0.93
Rot. Bonds11

About 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine

1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (PubChem CID 111368677) has the molecular formula C19H40N4O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
PubChem CID111368677
Molecular FormulaC19H40N4O3
Molecular Weight372.55 g/mol
Exact Mass372.31
IUPAC Name1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCCN/C(=N\CC(O)COCC(C)C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C19H40N4O3/c1-6-20-19(21-9-17(24)14-25-13-16(4)5)22-10-18-12-23(7-8-26-18)11-15(2)3/h15-18,24H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyMMYNYNRDNPPGDU-UHFFFAOYSA-N
XLogP0.93
TPSA78.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368509
N-tert-butyl-2-[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111368612
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111601875
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111181186
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
1-(cyclopropylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368833
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369911
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111775850
2-[(4-bromothiophen-2-yl)methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111369150
1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584120
1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111839137

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (CID 111368677) is 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is CCN/C(=N\CC(O)COCC(C)C)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The InChIKey is MMYNYNRDNPPGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O3/c1-6-20-19(21-9-17(24)14-25-13-16(4)5)22-10-18-12-23(7-8-26-18)11-15(2)3/h15-18,24H,6-14H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine has a molecular weight of 372.55 g/mol, XLogP of 0.93, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is sourced from PubChem (CID 111368677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).