2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

C15H31IN4O — CID 110965625

IUPAC2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NC(C)(C)C.I
InChIInChI=1S/C15H30N4O.HI/c1-5-16-14(19-15(2,3)4)17-11-13(20)18-12-9-7-6-8-10-12;/h12H,5-11H2,1-4H3,(H,18,20)(H2,16,17,19);1H
InChIKeyXSKYTRXATGRRNV-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.41
Rot. Bonds4

About 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide

2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (PubChem CID 110965625) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
PubChem CID110965625
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NC(C)(C)C.I
InChIInChI=1S/C15H30N4O.HI/c1-5-16-14(19-15(2,3)4)17-11-13(20)18-12-9-7-6-8-10-12;/h12H,5-11H2,1-4H3,(H,18,20)(H2,16,17,19);1H
InChIKeyXSKYTRXATGRRNV-UHFFFAOYSA-N
XLogP2.41
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.41
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
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
N-cyclohexyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111321279
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
N-cyclohexyl-2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 111626949
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261
N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111189663
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111141508

Frequently Asked Questions

What is the IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The IUPAC name of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide (CID 110965625) is 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The canonical SMILES for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CCCCC1)NC(C)(C)C.I.
What is the InChIKey of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
The InChIKey is XSKYTRXATGRRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-5-16-14(19-15(2,3)4)17-11-13(20)18-12-9-7-6-8-10-12;/h12H,5-11H2,1-4H3,(H,18,20)(H2,16,17,19);1H.
What are the key properties of 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide?
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide is sourced from PubChem (CID 110965625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).