2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide

C16H24N4O — CID 110030596

IUPAC2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C16H24N4O/c1-3-20(12-13-7-5-4-6-8-13)15(21)11-18-16(17)19(2)14-9-10-14/h4-8,14H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyGUXHDJGCTYTOJZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.44
Rot. Bonds6

About 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide

2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide (PubChem CID 110030596) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
PubChem CID110030596
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)N(C)C1CC1
InChIInChI=1S/C16H24N4O/c1-3-20(12-13-7-5-4-6-8-13)15(21)11-18-16(17)19(2)14-9-10-14/h4-8,14H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyGUXHDJGCTYTOJZ-UHFFFAOYSA-N
XLogP1.44
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.44
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

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082037
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082051
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110030946
1-benzyl-2-cyclopropyl-1-ethylguanidine
CID 62361210
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110957199
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
N-[2-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927262
2-[[benzyl(ethyl)carbamoyl]-cyclopropylamino]acetic acid
CID 61186434

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide (CID 110030596) is 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)C/N=C(\N)N(C)C1CC1.
What is the InChIKey of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide?
The InChIKey is GUXHDJGCTYTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20(12-13-7-5-4-6-8-13)15(21)11-18-16(17)19(2)14-9-10-14/h4-8,14H,3,9-12H2,1-2H3,(H2,17,18).
What are the key properties of 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide?
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide has a molecular weight of 288.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 110030596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).