N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide

C14H26N4O — CID 110981261

IUPACN-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N/CC(=O)NC1CCCCC1)NCC
InChIInChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-13(19)18-12-8-6-5-7-9-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyUWZZDFXMBDSMOF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.18
Rot. Bonds6

About N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide (PubChem CID 110981261) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
PubChem CID110981261
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
SMILESC=CCN/C(=N/CC(=O)NC1CCCCC1)NCC
InChIInChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-13(19)18-12-8-6-5-7-9-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyUWZZDFXMBDSMOF-UHFFFAOYSA-N
XLogP1.18
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
CID 136925442
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclohexyl-2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]acetamide
CID 111605945
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
ethyl 4-[[N'-[2-(cyclohexylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329714
2-[[(cyclopentylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110991975
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide (CID 110981261) is N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide is C=CCN/C(=N/CC(=O)NC1CCCCC1)NCC.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide?
The InChIKey is UWZZDFXMBDSMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-13(19)18-12-8-6-5-7-9-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110981261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).