2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide

C14H28N4O — CID 110958747

IUPAC2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-10-16-13(19)11-17-14(15-4-2)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyVDIJBIFCHXREKO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds6

About 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide

2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide (PubChem CID 110958747) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
PubChem CID110958747
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-10-16-13(19)11-17-14(15-4-2)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyVDIJBIFCHXREKO-UHFFFAOYSA-N
XLogP1.40
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
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-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
CID 111318596
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111141508
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
ethyl 4-[[N'-[2-(cyclohexylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329714
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide (CID 110958747) is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is VDIJBIFCHXREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-10-16-13(19)11-17-14(15-4-2)18-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide?
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 110958747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).