N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide

C19H34F3N5O — CID 109378376

IUPACN-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H34F3N5O/c1-3-23-18(25-10-9-24-17(28)16-7-5-4-6-8-16)27-13-11-26(12-14-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyFRSWSQIDWIWQDT-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide

N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide (PubChem CID 109378376) has the molecular formula C19H34F3N5O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
PubChem CID109378376
Molecular FormulaC19H34F3N5O
Molecular Weight405.51 g/mol
Exact Mass405.27
IUPAC NameN-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C19H34F3N5O/c1-3-23-18(25-10-9-24-17(28)16-7-5-4-6-8-16)27-13-11-26(12-14-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyFRSWSQIDWIWQDT-UHFFFAOYSA-N
XLogP2.22
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145160
N-[(3R,6S,9S,12R)-3-(cyclohexylmethyl)-9-[3-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)amino]propyl]-6-ethyl-12-methyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-methylpropanamide
CID 142475011
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-N-methyl-2-[4-(N'-propan-2-ylcarbamimidoyl)piperazin-1-yl]acetamide
CID 145819401
2-cyclohexyl-2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]ethyl]-N-methylacetamide
CID 145819403
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-[4-(N-tert-butyl-N'-ethylcarbamimidoyl)piperazin-1-yl]-2-cyclohexyl-N-methylacetamide
CID 145819411
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-N-methyl-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]acetamide
CID 145819413
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]-N-methylacetamide
CID 145819422
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-N-methyl-2-[4-(N'-methylcarbamimidoyl)piperazin-1-yl]acetamide
CID 145819425
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 145819429
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-[N,N'-di(propan-2-yl)carbamimidoyl]piperazin-1-yl]-N-methylacetamide
CID 145819431
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-methylacetamide
CID 145819434
N-[2-[3,5-bis(trifluoromethyl)cyclohexyl]ethyl]-2-cyclohexyl-2-[4-(N,N'-dicyclohexylcarbamimidoyl)piperazin-1-yl]-N-methylacetamide
CID 145819439

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide (CID 109378376) is N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide is CCN/C(=N\CCNC(=O)C1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is FRSWSQIDWIWQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O/c1-3-23-18(25-10-9-24-17(28)16-7-5-4-6-8-16)27-13-11-26(12-14-27)15(2)19(20,21)22/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide?
N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 109378376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).