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

C17H34N4O — CID 111890981

IUPACN-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC(CC)CC
InChIInChI=1S/C17H34N4O/c1-4-14(5-2)12-19-17(18-6-3)20-13-16(22)21-15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20)
InChIKeyCONWMHXWBCWUDN-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.43
Rot. Bonds8

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

N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide (PubChem CID 111890981) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
PubChem CID111890981
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC(CC)CC
InChIInChI=1S/C17H34N4O/c1-4-14(5-2)12-19-17(18-6-3)20-13-16(22)21-15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20)
InChIKeyCONWMHXWBCWUDN-UHFFFAOYSA-N
XLogP2.43
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.43
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

N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261
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-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111937327
N-cyclohexyl-2-[[ethylamino-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326708
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509
N-cyclohexyl-2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 111626949

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide (CID 111890981) is N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCC(CC)CC.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide?
The InChIKey is CONWMHXWBCWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-14(5-2)12-19-17(18-6-3)20-13-16(22)21-15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide has a molecular weight of 310.49 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111890981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).