ethane;N,3,4-trimethylpent-3-en-2-imine

C12H27N — CID 143101554

IUPACethane;N,3,4-trimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C.CC.CC
InChIInChI=1S/C8H15N.2C2H6/c1-6(2)7(3)8(4)9-5;2*1-2/h1-5H3;2*1-2H3/b9-8+;;
InChIKeyYNGQZYIRMFDUFN-YEUQMBKVSA-N
MW185.35 g/mol
LogP4.49
Rot. Bonds1

About ethane;N,3,4-trimethylpent-3-en-2-imine

ethane;N,3,4-trimethylpent-3-en-2-imine (PubChem CID 143101554) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;N,3,4-trimethylpent-3-en-2-imine.

Molecular Properties

Compound Nameethane;N,3,4-trimethylpent-3-en-2-imine
PubChem CID143101554
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;N,3,4-trimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C.CC.CC
InChIInChI=1S/C8H15N.2C2H6/c1-6(2)7(3)8(4)9-5;2*1-2/h1-5H3;2*1-2H3/b9-8+;;
InChIKeyYNGQZYIRMFDUFN-YEUQMBKVSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 54.49
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

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
4-fluoro-N,3-dimethylpent-3-en-2-imine
CID 123892315
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306
3-fluoro-N,4-dimethylpent-3-en-2-imine
CID 155041528
N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 153254458
3,4,5-trimethyl-2H-pyrrole
CID 12554796
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
1-N,4-N,2,3,5,6-hexamethylcyclohexa-2,5-diene-1,4-diimine
CID 18739815
N,3,4-trimethylpent-3-en-2-imine
CID 54299985
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
(Z)-N,3-dimethylpent-3-en-2-imine
CID 58274132

Frequently Asked Questions

What is the IUPAC name of ethane;N,3,4-trimethylpent-3-en-2-imine?
The IUPAC name of ethane;N,3,4-trimethylpent-3-en-2-imine (CID 143101554) is ethane;N,3,4-trimethylpent-3-en-2-imine.
What is the SMILES notation for ethane;N,3,4-trimethylpent-3-en-2-imine?
The canonical SMILES for ethane;N,3,4-trimethylpent-3-en-2-imine is C/N=C(\C)C(C)=C(C)C.CC.CC.
What is the InChIKey of ethane;N,3,4-trimethylpent-3-en-2-imine?
The InChIKey is YNGQZYIRMFDUFN-YEUQMBKVSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-6(2)7(3)8(4)9-5;2*1-2/h1-5H3;2*1-2H3/b9-8+;;.
What are the key properties of ethane;N,3,4-trimethylpent-3-en-2-imine?
ethane;N,3,4-trimethylpent-3-en-2-imine has a molecular weight of 185.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,3,4-trimethylpent-3-en-2-imine is sourced from PubChem (CID 143101554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).