N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine

C17H24FN — CID 175614207

IUPACN-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
SMILESC=NC(=C)/C(F)=C(C)/C(/C=C\CC)=C(C)\C(C)=C/C
InChIInChI=1S/C17H24FN/c1-8-10-11-16(13(4)12(3)9-2)14(5)17(18)15(6)19-7/h9-11H,6-8H2,1-5H3/b11-10-,12-9-,16-13-,17-14-
InChIKeyPTVKFVDIUHJBDV-SOMWBHOFSA-N
MW261.38 g/mol
LogP5.69
Rot. Bonds6

About N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine

N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine (PubChem CID 175614207) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
PubChem CID175614207
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine
SMILESC=NC(=C)/C(F)=C(C)/C(/C=C\CC)=C(C)\C(C)=C/C
InChIInChI=1S/C17H24FN/c1-8-10-11-16(13(4)12(3)9-2)14(5)17(18)15(6)19-7/h9-11H,6-8H2,1-5H3/b11-10-,12-9-,16-13-,17-14-
InChIKeyPTVKFVDIUHJBDV-SOMWBHOFSA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.38
LogP ≤ 55.69
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'}

Analyze N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
CID 123417513
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
(3E,6Z)-6-[(E)-1-fluoro-2-(methylideneamino)ethenyl]-5-propan-2-ylideneundeca-1,3,6,10-tetraen-3-amine
CID 134380590
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine?
The IUPAC name of N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine (CID 175614207) is N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine is C=NC(=C)/C(F)=C(C)/C(/C=C\CC)=C(C)\C(C)=C/C.
What is the InChIKey of N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine?
The InChIKey is PTVKFVDIUHJBDV-SOMWBHOFSA-N. The full InChI is InChI=1S/C17H24FN/c1-8-10-11-16(13(4)12(3)9-2)14(5)17(18)15(6)19-7/h9-11H,6-8H2,1-5H3/b11-10-,12-9-,16-13-,17-14-.
What are the key properties of N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine?
N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine has a molecular weight of 261.38 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z,7Z)-5-[(Z)-but-1-enyl]-3-fluoro-4,6,7-trimethylnona-1,3,5,7-tetraen-2-yl]methanimine is sourced from PubChem (CID 175614207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).