N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine

C9H14ClN — CID 147776968

IUPACN-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)Cl)C(C)C
InChIInChI=1S/C9H14ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-7H,1H2,2-4H3/b8-6+,11-9+
InChIKeyHHANFXGCTJYWDM-ZOIFJEAISA-N
MW171.67 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine

N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine (PubChem CID 147776968) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine
PubChem CID147776968
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC NameN-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)Cl)C(C)C
InChIInChI=1S/C9H14ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-7H,1H2,2-4H3/b8-6+,11-9+
InChIKeyHHANFXGCTJYWDM-ZOIFJEAISA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.37
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

N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
N-[(1Z)-buta-1,3-dienyl]-4-methylpent-1-en-3-imine
CID 126626592
N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
CID 130320687
4-methyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 137470078
N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 143009194
N-ethenyl-4-methylpent-1-en-3-imine
CID 143591102
ethane;N-ethenyl-4-methylpent-1-en-3-imine
CID 144471669
N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
CID 155274371
2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
CID 156878074
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
CID 156878075
N-[(1Z)-buta-1,3-dienyl]-4-methylpent-1-en-3-imine;ethane
CID 163393614
4-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]pent-1-en-3-imine
CID 166846794

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine?
The IUPAC name of N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine (CID 147776968) is N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine?
The canonical SMILES for N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine is C=C/C(=N\C=C(/C)Cl)C(C)C.
What is the InChIKey of N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine?
The InChIKey is HHANFXGCTJYWDM-ZOIFJEAISA-N. The full InChI is InChI=1S/C9H14ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-7H,1H2,2-4H3/b8-6+,11-9+.
What are the key properties of N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine?
N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine has a molecular weight of 171.67 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-chloroprop-1-enyl]-4-methylpent-1-en-3-imine is sourced from PubChem (CID 147776968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).