N-[(E)-4-methylpent-1-enyl]butan-2-imine

C10H19N — CID 90063487

IUPACN-[(E)-4-methylpent-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C/CC(C)C
InChIInChI=1S/C10H19N/c1-5-10(4)11-8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+,11-10+
InChIKeyVLNHNILAJOMZTD-UMYLGFLZSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds4

About N-[(E)-4-methylpent-1-enyl]butan-2-imine

N-[(E)-4-methylpent-1-enyl]butan-2-imine (PubChem CID 90063487) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(E)-4-methylpent-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(E)-4-methylpent-1-enyl]butan-2-imine
PubChem CID90063487
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(E)-4-methylpent-1-enyl]butan-2-imine
SMILESCC/C(C)=N/C=C/CC(C)C
InChIInChI=1S/C10H19N/c1-5-10(4)11-8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+,11-10+
InChIKeyVLNHNILAJOMZTD-UMYLGFLZSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
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 N-[(E)-4-methylpent-1-enyl]butan-2-imine?
The IUPAC name of N-[(E)-4-methylpent-1-enyl]butan-2-imine (CID 90063487) is N-[(E)-4-methylpent-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(E)-4-methylpent-1-enyl]butan-2-imine?
The canonical SMILES for N-[(E)-4-methylpent-1-enyl]butan-2-imine is CC/C(C)=N/C=C/CC(C)C.
What is the InChIKey of N-[(E)-4-methylpent-1-enyl]butan-2-imine?
The InChIKey is VLNHNILAJOMZTD-UMYLGFLZSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(4)11-8-6-7-9(2)3/h6,8-9H,5,7H2,1-4H3/b8-6+,11-10+.
What are the key properties of N-[(E)-4-methylpent-1-enyl]butan-2-imine?
N-[(E)-4-methylpent-1-enyl]butan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpent-1-enyl]butan-2-imine is sourced from PubChem (CID 90063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).