N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid

C23H42Cl3N3O2 — CID 88510000

IUPACN,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCN(C(C)C)C(C)C.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C13H22N2.C8H19N.C2HCl3O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h12-13H,1-10H2;7-8H,6H2,1-5H3;(H,6,7)
InChIKeyQNHVAESULVPXOP-UHFFFAOYSA-N
MW498.97 g/mol
LogP7.39
Rot. Bonds5

About N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid

N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid (PubChem CID 88510000) has the molecular formula C23H42Cl3N3O2 and a molecular weight of 498.97 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid
PubChem CID88510000
Molecular FormulaC23H42Cl3N3O2
Molecular Weight498.97 g/mol
Exact Mass497.23
IUPAC NameN,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCN(C(C)C)C(C)C.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C13H22N2.C8H19N.C2HCl3O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h12-13H,1-10H2;7-8H,6H2,1-5H3;(H,6,7)
InChIKeyQNHVAESULVPXOP-UHFFFAOYSA-N
XLogP7.39
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexylmethanediimine;N,N-diethylethanamine;2-methylpropyl carbonochloridate
CID 157084875
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
2,2,2-trichloroacetic acid;1,1,2-tricyclohexylguanidine
CID 19868551
N,N'-dicyclohexylmethanediimine;λ2-plumbane
CID 174956509
CID 159949991
CID 159949991
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
N-cyclohexyl-N'-[1-(cyclohexyliminomethylideneamino)ethyl]methanediimine
CID 141213199
N,N'-dicyclohexylmethanediimine;4-hexoxybenzoic acid
CID 158425705
lithium;N,N'-dicyclohexylmethanediimine;thiocyanate
CID 87293630
N,N'-dicyclohexylmethanediimine;ethynoxyethane
CID 21481424
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid?
The IUPAC name of N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid (CID 88510000) is N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid is C(=NC1CCCCC1)=NC1CCCCC1.CCN(C(C)C)C(C)C.O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid?
The InChIKey is QNHVAESULVPXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C8H19N.C2HCl3O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-6-9(7(2)3)8(4)5;3-2(4,5)1(6)7/h12-13H,1-10H2;7-8H,6H2,1-5H3;(H,6,7).
What are the key properties of N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid?
N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid has a molecular weight of 498.97 g/mol, XLogP of 7.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trichloroacetic acid is sourced from PubChem (CID 88510000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).