N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide

C19H40IN5O2 — CID 111010180

IUPACN,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C19H39N5O2.HI/c1-7-20-19(22(6)15-18(25)24(8-2)9-3)21-12-17-14-23(10-11-26-17)13-16(4)5;/h16-17H,7-15H2,1-6H3,(H,20,21);1H
InChIKeyZGIHZJDMOAEHMW-UHFFFAOYSA-N
MW497.47 g/mol
LogP1.73
Rot. Bonds9

About N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide

N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide (PubChem CID 111010180) has the molecular formula C19H40IN5O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
PubChem CID111010180
Molecular FormulaC19H40IN5O2
Molecular Weight497.47 g/mol
Exact Mass497.22
IUPAC NameN,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C19H39N5O2.HI/c1-7-20-19(22(6)15-18(25)24(8-2)9-3)21-12-17-14-23(10-11-26-17)13-16(4)5;/h16-17H,7-15H2,1-6H3,(H,20,21);1H
InChIKeyZGIHZJDMOAEHMW-UHFFFAOYSA-N
XLogP1.73
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009779
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010056
N,N-diethyl-2-[[N-ethyl-N'-(4-morpholin-4-ylbutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009506
4-acetyl-N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 110963591
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826
N,N-diethyl-2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009854
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111010397
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
4-[2-(diethylamino)-2-oxoethyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 55768945
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide (CID 111010180) is N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide.
What is the SMILES notation for N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The canonical SMILES for N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide is CCN/C(=N\CC1CN(CC(C)C)CCO1)N(C)CC(=O)N(CC)CC.I.
What is the InChIKey of N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The InChIKey is ZGIHZJDMOAEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O2.HI/c1-7-20-19(22(6)15-18(25)24(8-2)9-3)21-12-17-14-23(10-11-26-17)13-16(4)5;/h16-17H,7-15H2,1-6H3,(H,20,21);1H.
What are the key properties of N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide has a molecular weight of 497.47 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide is sourced from PubChem (CID 111010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).