N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide

C14H25F3N4O — CID 109473915

IUPACN-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCC(F)(F)F
InChIInChI=1S/C14H25F3N4O/c1-2-18-13(19-9-8-14(15,16)17)20-10-12(22)21-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyBTDBOBYEBBHDIK-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.94
Rot. Bonds6

About N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide (PubChem CID 109473915) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
PubChem CID109473915
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC NameN-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCC(F)(F)F
InChIInChI=1S/C14H25F3N4O/c1-2-18-13(19-9-8-14(15,16)17)20-10-12(22)21-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,21,22)(H2,18,19,20)
InChIKeyBTDBOBYEBBHDIK-UHFFFAOYSA-N
XLogP1.94
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.94
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-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
CID 22752131
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376888
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376889
N,N-dimethyl-2-[[propylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376967
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377252
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377253
N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377263
2-[[butylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109377361
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109377606
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109377607
2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109378106
2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109378107

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide (CID 109473915) is N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCCC(F)(F)F.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The InChIKey is BTDBOBYEBBHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c1-2-18-13(19-9-8-14(15,16)17)20-10-12(22)21-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.94, 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-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 109473915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).