2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide

C14H28N4O — CID 111010397

IUPAC2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
SMILESCCN/C(=N\CC1CC1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C14H28N4O/c1-5-15-14(16-10-12-8-9-12)17(4)11-13(19)18(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyPTLVXOWUWFLYRH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.16
Rot. Bonds7

About 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide

2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide (PubChem CID 111010397) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
PubChem CID111010397
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
SMILESCCN/C(=N\CC1CC1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C14H28N4O/c1-5-15-14(16-10-12-8-9-12)17(4)11-13(19)18(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyPTLVXOWUWFLYRH-UHFFFAOYSA-N
XLogP1.16
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009779
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111009577
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
2-[[N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111010407
2-[[N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111010002
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111010150
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
N,N-diethyl-2-[[N-ethyl-N'-(5-methoxypentyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009584
N,N-diethyl-2-[[N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009810

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide (CID 111010397) is 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide is CCN/C(=N\CC1CC1)N(C)CC(=O)N(CC)CC.
What is the InChIKey of 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is PTLVXOWUWFLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-15-14(16-10-12-8-9-12)17(4)11-13(19)18(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide?
2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 111010397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).