2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride

C14H24ClN — CID 156878074

IUPAC2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
SMILESC=C/C(=C\N=C(/Cl)C=C)C(C)C.CC(C)C
InChIInChI=1S/C10H14ClN.C4H10/c1-5-9(8(3)4)7-12-10(11)6-2;1-4(2)3/h5-8H,1-2H2,3-4H3;4H,1-3H3/b9-7+,12-10-;
InChIKeyVNUDYXGAQOVGIB-FNPPNBLMSA-N
MW241.81 g/mol
LogP5.20
Rot. Bonds4

About 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride

2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride (PubChem CID 156878074) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride.

Molecular Properties

Compound Name2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
PubChem CID156878074
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
SMILESC=C/C(=C\N=C(/Cl)C=C)C(C)C.CC(C)C
InChIInChI=1S/C10H14ClN.C4H10/c1-5-9(8(3)4)7-12-10(11)6-2;1-4(2)3/h5-8H,1-2H2,3-4H3;4H,1-3H3/b9-7+,12-10-;
InChIKeyVNUDYXGAQOVGIB-FNPPNBLMSA-N
XLogP5.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.81
LogP ≤ 55.20
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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Related Compounds

N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
CID 89250882
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
N-(2-propan-2-ylbuta-1,3-dienyl)propan-2-imine
CID 123161394
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-en-1-imine
CID 132011677
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]but-3-en-2-imine
CID 135127505
N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
CID 143209454
N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine
CID 147776968
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
CID 156878075
4-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]pent-1-en-3-imine
CID 166846794
ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]ethanimine
CID 169141331
ethane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-en-1-imine
CID 169142127
4-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]pent-1-en-3-imine
CID 169799576

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The IUPAC name of 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride (CID 156878074) is 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride.
What is the SMILES notation for 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The canonical SMILES for 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride is C=C/C(=C\N=C(/Cl)C=C)C(C)C.CC(C)C.
What is the InChIKey of 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
The InChIKey is VNUDYXGAQOVGIB-FNPPNBLMSA-N. The full InChI is InChI=1S/C10H14ClN.C4H10/c1-5-9(8(3)4)7-12-10(11)6-2;1-4(2)3/h5-8H,1-2H2,3-4H3;4H,1-3H3/b9-7+,12-10-;.
What are the key properties of 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride?
2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride has a molecular weight of 241.81 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride is sourced from PubChem (CID 156878074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).