2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine

C20H36N2 — CID 170900098

IUPAC2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
SMILESCC(=N\[C@H](C)C1CCCCC1)/C(C)=N/[C@H](C)C1CCCCC1
InChIInChI=1S/C20H36N2/c1-15(21-17(3)19-11-7-5-8-12-19)16(2)22-18(4)20-13-9-6-10-14-20/h17-20H,5-14H2,1-4H3/b21-15+,22-16+/t17-,18-/m1/s1
InChIKeyXOWBPEROMYNHJS-KRIWGBNCSA-N
MW304.52 g/mol
LogP5.85
Rot. Bonds5

About 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine

2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine (PubChem CID 170900098) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
PubChem CID170900098
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine
SMILESCC(=N\[C@H](C)C1CCCCC1)/C(C)=N/[C@H](C)C1CCCCC1
InChIInChI=1S/C20H36N2/c1-15(21-17(3)19-11-7-5-8-12-19)16(2)22-18(4)20-13-9-6-10-14-20/h17-20H,5-14H2,1-4H3/b21-15+,22-16+/t17-,18-/m1/s1
InChIKeyXOWBPEROMYNHJS-KRIWGBNCSA-N
XLogP5.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-cycloheptylethyl)but-3-en-2-imine
CID 87069900
N'-(1-cyclohexylethyl)cyclohexanecarboximidamide
CID 63178475
1,2-bis[(1R)-1-cyclohexylethyl]guanidine
CID 12014151
1-(aminodiazenyl)ethylcyclohexane
CID 67921156
[(1R)-1-isocyanatoethyl]cyclohexane
CID 51387275
1-isocyanatoethylcycloheptane
CID 84765305
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
1-cycloheptylpropane-1,2-diol
CID 103452573
3-cyclododecylbutan-2-ol
CID 10444334
ethane;methane;propan-2-ylcyclohexane
CID 169430642
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine (CID 170900098) is 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine is CC(=N\[C@H](C)C1CCCCC1)/C(C)=N/[C@H](C)C1CCCCC1.
What is the InChIKey of 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine?
The InChIKey is XOWBPEROMYNHJS-KRIWGBNCSA-N. The full InChI is InChI=1S/C20H36N2/c1-15(21-17(3)19-11-7-5-8-12-19)16(2)22-18(4)20-13-9-6-10-14-20/h17-20H,5-14H2,1-4H3/b21-15+,22-16+/t17-,18-/m1/s1.
What are the key properties of 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine?
2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine has a molecular weight of 304.52 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[(1R)-1-cyclohexylethyl]butane-2,3-diimine is sourced from PubChem (CID 170900098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).