3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen

C11H21N — CID 143018913

IUPAC3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen
SMILESC=C/C(C)=C\N=C(/C)C(C)(C)C.[H][H]
InChIInChI=1S/C11H19N.H2/c1-7-9(2)8-12-10(3)11(4,5)6;/h7-8H,1H2,2-6H3;1H/b9-8-,12-10+;
InChIKeyKOYUERMXHNUTGL-ZTEDHSSBSA-N
MW167.30 g/mol
LogP3.83
Rot. Bonds2

About 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen

3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen (PubChem CID 143018913) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen
PubChem CID143018913
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen
SMILESC=C/C(C)=C\N=C(/C)C(C)(C)C.[H][H]
InChIInChI=1S/C11H19N.H2/c1-7-9(2)8-12-10(3)11(4,5)6;/h7-8H,1H2,2-6H3;1H/b9-8-,12-10+;
InChIKeyKOYUERMXHNUTGL-ZTEDHSSBSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen?
The IUPAC name of 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen (CID 143018913) is 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen.
What is the SMILES notation for 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen?
The canonical SMILES for 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen is C=C/C(C)=C\N=C(/C)C(C)(C)C.[H][H].
What is the InChIKey of 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen?
The InChIKey is KOYUERMXHNUTGL-ZTEDHSSBSA-N. The full InChI is InChI=1S/C11H19N.H2/c1-7-9(2)8-12-10(3)11(4,5)6;/h7-8H,1H2,2-6H3;1H/b9-8-,12-10+;.
What are the key properties of 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen?
3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen has a molecular weight of 167.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1Z)-2-methylbuta-1,3-dienyl]butan-2-imine;molecular hydrogen is sourced from PubChem (CID 143018913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).