ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine

C14H31N — CID 142963758

IUPACethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)C(C)C)C(C)C.CC.CC
InChIInChI=1S/C10H19N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h7-8H,5H2,1-4,6H3;2*1-2H3/b11-10+;;
InChIKeyDXPLAZCABRZOKS-BGNBUWATSA-N
MW213.41 g/mol
LogP5.33
Rot. Bonds3

About ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine

ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine (PubChem CID 142963758) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
PubChem CID142963758
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)C(C)C)C(C)C.CC.CC
InChIInChI=1S/C10H19N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h7-8H,5H2,1-4,6H3;2*1-2H3/b11-10+;;
InChIKeyDXPLAZCABRZOKS-BGNBUWATSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine?
The IUPAC name of ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine (CID 142963758) is ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine?
The canonical SMILES for ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine is C=C(/N=C(\C)C(C)C)C(C)C.CC.CC.
What is the InChIKey of ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine?
The InChIKey is DXPLAZCABRZOKS-BGNBUWATSA-N. The full InChI is InChI=1S/C10H19N.2C2H6/c1-7(2)9(5)11-10(6)8(3)4;2*1-2/h7-8H,5H2,1-4,6H3;2*1-2H3/b11-10+;;.
What are the key properties of ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine?
ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine has a molecular weight of 213.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine is sourced from PubChem (CID 142963758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).