ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine

C12H25N — CID 143229921

IUPACethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine
SMILESC/N=C/C=C(\C)CC(C)(C)C.CC
InChIInChI=1S/C10H19N.C2H6/c1-9(6-7-11-5)8-10(2,3)4;1-2/h6-7H,8H2,1-5H3;1-2H3/b9-6+,11-7+;
InChIKeyOAKKXDZXUNDSNO-CZUIKUTNSA-N
MW183.34 g/mol
LogP4.10
Rot. Bonds2

About ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine

ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine (PubChem CID 143229921) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine.

Molecular Properties

Compound Nameethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine
PubChem CID143229921
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine
SMILESC/N=C/C=C(\C)CC(C)(C)C.CC
InChIInChI=1S/C10H19N.C2H6/c1-9(6-7-11-5)8-10(2,3)4;1-2/h6-7H,8H2,1-5H3;1-2H3/b9-6+,11-7+;
InChIKeyOAKKXDZXUNDSNO-CZUIKUTNSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14927387
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3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
2-Tert-butyl-2,3-dihydropyridine
CID 59160947
(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine
CID 59180017
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 72660173
N,3-dimethylhex-2-en-1-imine
CID 73829296
(E)-4-ethenyl-N-methylhept-2-en-1-imine
CID 89064411
4-(2,2-dimethylpropyl)-2H-pyrrole
CID 89113097

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The IUPAC name of ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine (CID 143229921) is ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine.
What is the SMILES notation for ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The canonical SMILES for ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine is C/N=C/C=C(\C)CC(C)(C)C.CC.
What is the InChIKey of ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The InChIKey is OAKKXDZXUNDSNO-CZUIKUTNSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-9(6-7-11-5)8-10(2,3)4;1-2/h6-7H,8H2,1-5H3;1-2H3/b9-6+,11-7+;.
What are the key properties of ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine?
ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine has a molecular weight of 183.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N,3,5,5-tetramethylhex-2-en-1-imine is sourced from PubChem (CID 143229921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).