ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine

C17H38N2 — CID 153342660

IUPACethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine
SMILESCC.CC.CC.[H]/N=C/C(/C(C)=N/CC)=C(/C)CCC
InChIInChI=1S/C11H20N2.3C2H6/c1-5-7-9(3)11(8-12)10(4)13-6-2;3*1-2/h8,12H,5-7H2,1-4H3;3*1-2H3/b11-9+,12-8+,13-10+;;;
InChIKeyMKIGEMJSNSYXGA-OOBOCJHKSA-N
MW270.50 g/mol
LogP6.31
Rot. Bonds5

About ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine

ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine (PubChem CID 153342660) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine.

Molecular Properties

Compound Nameethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine
PubChem CID153342660
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine
SMILESCC.CC.CC.[H]/N=C/C(/C(C)=N/CC)=C(/C)CCC
InChIInChI=1S/C11H20N2.3C2H6/c1-5-7-9(3)11(8-12)10(4)13-6-2;3*1-2/h8,12H,5-7H2,1-4H3;3*1-2H3/b11-9+,12-8+,13-10+;;;
InChIKeyMKIGEMJSNSYXGA-OOBOCJHKSA-N
XLogP6.31
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
(E)-4,5-dimethyloct-4-ene
CID 12714364
2,3-dimethylhex-2-ene;ethane
CID 144601748
(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine
CID 176921652
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
ethyl 2-amino-6-imino-5-oxohexanoate
CID 135219340
ethyl (2S)-2-amino-6-imino-5-oxohexanoate
CID 126555769
(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 145143502
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine?
The IUPAC name of ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine (CID 153342660) is ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine.
What is the SMILES notation for ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine?
The canonical SMILES for ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine is CC.CC.CC.[H]/N=C/C(/C(C)=N/CC)=C(/C)CCC.
What is the InChIKey of ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine?
The InChIKey is MKIGEMJSNSYXGA-OOBOCJHKSA-N. The full InChI is InChI=1S/C11H20N2.3C2H6/c1-5-7-9(3)11(8-12)10(4)13-6-2;3*1-2/h8,12H,5-7H2,1-4H3;3*1-2H3/b11-9+,12-8+,13-10+;;;.
What are the key properties of ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine?
ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine has a molecular weight of 270.50 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine is sourced from PubChem (CID 153342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).