(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine

C14H18IN — CID 161303073

IUPAC(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine
SMILESC/N=C(/C=C/c1ccccc1)C(C)(C)CI
InChIInChI=1S/C14H18IN/c1-14(2,11-15)13(16-3)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b10-9+,16-13-
InChIKeyZSFGHNBVSRPQHJ-ZDHWLGKOSA-N
MW327.21 g/mol
LogP4.23
Rot. Bonds4

About (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine

(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine (PubChem CID 161303073) has the molecular formula C14H18IN and a molecular weight of 327.21 g/mol. Its IUPAC name is (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine.

Molecular Properties

Compound Name(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine
PubChem CID161303073
Molecular FormulaC14H18IN
Molecular Weight327.21 g/mol
Exact Mass327.05
IUPAC Name(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine
SMILESC/N=C(/C=C/c1ccccc1)C(C)(C)CI
InChIInChI=1S/C14H18IN/c1-14(2,11-15)13(16-3)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b10-9+,16-13-
InChIKeyZSFGHNBVSRPQHJ-ZDHWLGKOSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
6,6-dimethyl-1-phenylhept-1-ene-3,5-dione
CID 54280187
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
CID 11723731
2-[2-(3-phenylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 3-phenylprop-2-enoate
CID 139630857

Frequently Asked Questions

What is the IUPAC name of (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine?
The IUPAC name of (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine (CID 161303073) is (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine.
What is the SMILES notation for (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine?
The canonical SMILES for (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine is C/N=C(/C=C/c1ccccc1)C(C)(C)CI.
What is the InChIKey of (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine?
The InChIKey is ZSFGHNBVSRPQHJ-ZDHWLGKOSA-N. The full InChI is InChI=1S/C14H18IN/c1-14(2,11-15)13(16-3)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b10-9+,16-13-.
What are the key properties of (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine?
(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine has a molecular weight of 327.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine is sourced from PubChem (CID 161303073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).