(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine

C21H41FN2 — CID 139423554

IUPAC(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine
SMILESCCC(CCCCCCC/C(C)=C\C(=C/CF)N(C)CC)N(C)C
InChIInChI=1S/C21H41FN2/c1-7-20(23(4)5)15-13-11-9-10-12-14-19(3)18-21(16-17-22)24(6)8-2/h16,18,20H,7-15,17H2,1-6H3/b19-18-,21-16+
InChIKeyUCFLHMHPBXVIKV-YZAQMJNISA-N
MW340.57 g/mol
LogP5.81
Rot. Bonds14

About (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine

(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine (PubChem CID 139423554) has the molecular formula C21H41FN2 and a molecular weight of 340.57 g/mol. Its IUPAC name is (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine.

Molecular Properties

Compound Name(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine
PubChem CID139423554
Molecular FormulaC21H41FN2
Molecular Weight340.57 g/mol
Exact Mass340.33
IUPAC Name(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine
SMILESCCC(CCCCCCC/C(C)=C\C(=C/CF)N(C)CC)N(C)C
InChIInChI=1S/C21H41FN2/c1-7-20(23(4)5)15-13-11-9-10-12-14-19(3)18-21(16-17-22)24(6)8-2/h16,18,20H,7-15,17H2,1-6H3/b19-18-,21-16+
InChIKeyUCFLHMHPBXVIKV-YZAQMJNISA-N
XLogP5.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.57
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
5-N-cyclopropyl-5-N-[(E)-2-[(E)-2-fluoro-3-methylidenepent-1-enyl]dec-2-enyl]-4-methylhex-5-ene-1,5-diamine
CID 126583214
(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine
CID 130324142
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(3S)-7-fluoro-3-(4-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-5-methylidene-6-pent-1-en-2-yl-1,2,3,8-tetrahydropyrrolizine
CID 137484287
N-ethyl-1-[(5R)-5-fluoro-4-methylcyclohexa-1,3-dien-1-yl]-N-methylethanamine
CID 144585204
N-ethyl-1-(3-fluorocyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
CID 145352636
(4Z)-N,12-dimethyl-6-methylidene-N-(1,1,1-trifluorobutan-2-yl)trideca-1,4,12-trien-2-amine
CID 146633931
(3E,5Z)-5-(1-but-1-en-2-yl-6-butyl-2-methylidenepiperidin-3-ylidene)-N-(2,2-difluoropropyl)-3-methylpenta-1,3-dien-2-amine
CID 155002067
2-ethyl-1-[1-(3-fluoro-4-pentylcyclohexa-1,3-dien-1-yl)ethenyl]-2H-azete
CID 156301177
6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
CID 156800339
6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
CID 156800392

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine?
The IUPAC name of (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine (CID 139423554) is (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine.
What is the SMILES notation for (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine?
The canonical SMILES for (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine is CCC(CCCCCCC/C(C)=C\C(=C/CF)N(C)CC)N(C)C.
What is the InChIKey of (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine?
The InChIKey is UCFLHMHPBXVIKV-YZAQMJNISA-N. The full InChI is InChI=1S/C21H41FN2/c1-7-20(23(4)5)15-13-11-9-10-12-14-19(3)18-21(16-17-22)24(6)8-2/h16,18,20H,7-15,17H2,1-6H3/b19-18-,21-16+.
What are the key properties of (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine?
(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine has a molecular weight of 340.57 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine is sourced from PubChem (CID 139423554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).