(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine

C17H29FN2 — CID 144826856

IUPAC(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine
SMILESC=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C
InChIInChI=1S/C17H29FN2/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3/h7-10H,1,11-13,19H2,2-6H3/b14-10+,15-8+,16-9+
InChIKeyBUMVBJZODRRYJI-UWJVDWJESA-N
MW280.43 g/mol
LogP3.98
Rot. Bonds8

About (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine

(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine (PubChem CID 144826856) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine.

Molecular Properties

Compound Name(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine
PubChem CID144826856
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine
SMILESC=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C
InChIInChI=1S/C17H29FN2/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3/h7-10H,1,11-13,19H2,2-6H3/b14-10+,15-8+,16-9+
InChIKeyBUMVBJZODRRYJI-UWJVDWJESA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
(3Z,5E)-5-fluoro-2-methyl-4-(1-methylpyrrolidin-3-yl)hepta-3,5-dien-2-amine
CID 126490055
(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
4-[2-(dimethylamino)ethyl]-4-N-ethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 176049586
(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine
CID 139542394
N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine;propane
CID 142203770
ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
CID 143782119
ethane;(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine;prop-1-ene
CID 144826855
1-(4-Ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine
CID 145287414
4-[2-(Diethylamino)ethyl]cyclohexa-1,5-diene-1,4-diamine
CID 152769907
N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine
CID 142203771
(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
CID 143782120

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine?
The IUPAC name of (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine (CID 144826856) is (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine.
What is the SMILES notation for (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine?
The canonical SMILES for (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine is C=C/C=C(\C)CN(C)CCC(C)(N)C(=C/C)/C(F)=C\C.
What is the InChIKey of (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine?
The InChIKey is BUMVBJZODRRYJI-UWJVDWJESA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-10-14(4)13-20(6)12-11-17(5,19)15(8-2)16(18)9-3/h7-10H,1,11-13,19H2,2-6H3/b14-10+,15-8+,16-9+.
What are the key properties of (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine?
(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine is sourced from PubChem (CID 144826856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).