N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine

C11H18FN — CID 168972356

IUPACN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(C)/C(F)=C(C)\N=C(/C)CCC
InChIInChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h2,6-7H2,1,3-5H3/b11-10+,13-9+
InChIKeyUSDILVPLGNNUGZ-XZKZINEMSA-N
MW183.27 g/mol
LogP4.02
Rot. Bonds4

About N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine

N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine (PubChem CID 168972356) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
PubChem CID168972356
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C(C)/C(F)=C(C)\N=C(/C)CCC
InChIInChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h2,6-7H2,1,3-5H3/b11-10+,13-9+
InChIKeyUSDILVPLGNNUGZ-XZKZINEMSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 54.02
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 N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine?
The IUPAC name of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine (CID 168972356) is N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine?
The canonical SMILES for N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine is C=C(C)/C(F)=C(C)\N=C(/C)CCC.
What is the InChIKey of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine?
The InChIKey is USDILVPLGNNUGZ-XZKZINEMSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-7-9(4)13-10(5)11(12)8(2)3/h2,6-7H2,1,3-5H3/b11-10+,13-9+.
What are the key properties of N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine?
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine has a molecular weight of 183.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine is sourced from PubChem (CID 168972356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).