N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide

C16H34IN5O — CID 111010056

IUPACN,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(C)C1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C16H33N5O.HI/c1-6-17-16(18-11-14-9-10-19(4)12-14)20(5)13-15(22)21(7-2)8-3;/h14H,6-13H2,1-5H3,(H,17,18);1H
InChIKeyLQDIEIBAGDIKAK-UHFFFAOYSA-N
MW439.39 g/mol
LogP1.32
Rot. Bonds7

About N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide

N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide (PubChem CID 111010056) has the molecular formula C16H34IN5O and a molecular weight of 439.39 g/mol. Its IUPAC name is N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
PubChem CID111010056
Molecular FormulaC16H34IN5O
Molecular Weight439.39 g/mol
Exact Mass439.18
IUPAC NameN,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
SMILESCCN/C(=N\CC1CCN(C)C1)N(C)CC(=O)N(CC)CC.I
InChIInChI=1S/C16H33N5O.HI/c1-6-17-16(18-11-14-9-10-19(4)12-14)20(5)13-15(22)21(7-2)8-3;/h14H,6-13H2,1-5H3,(H,17,18);1H
InChIKeyLQDIEIBAGDIKAK-UHFFFAOYSA-N
XLogP1.32
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide 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-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111010397
N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009779
N,N-diethyl-2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010180
N,N-diethyl-2-[[N-ethyl-N'-[3-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]-methylamino]acetamide
CID 111009417
2-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111010490
N,N-diethyl-2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009854
N,N-diethyl-2-[[N-ethyl-N'-(4-morpholin-4-ylbutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009506
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111272338
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111009577
2-[[N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111010002
2-[[N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111010407
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The IUPAC name of N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide (CID 111010056) is N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide.
What is the SMILES notation for N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The canonical SMILES for N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide is CCN/C(=N\CC1CCN(C)C1)N(C)CC(=O)N(CC)CC.I.
What is the InChIKey of N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
The InChIKey is LQDIEIBAGDIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O.HI/c1-6-17-16(18-11-14-9-10-19(4)12-14)20(5)13-15(22)21(7-2)8-3;/h14H,6-13H2,1-5H3,(H,17,18);1H.
What are the key properties of N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide?
N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide has a molecular weight of 439.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide is sourced from PubChem (CID 111010056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).