(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine

C18H32FN — CID 137446364

IUPAC(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine
SMILESCC=C(CCCC(C)C)/C(C)=C\C/C=C(/F)CCNC
InChIInChI=1S/C18H32FN/c1-6-17(11-7-9-15(2)3)16(4)10-8-12-18(19)13-14-20-5/h6,10,12,15,20H,7-9,11,13-14H2,1-5H3/b16-10-,17-6?,18-12+
InChIKeyPKGFKKXXQDRUKL-OVWNEYRCSA-N
MW281.46 g/mol
LogP5.56
Rot. Bonds10

About (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine

(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine (PubChem CID 137446364) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine.

Molecular Properties

Compound Name(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine
PubChem CID137446364
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine
SMILESCC=C(CCCC(C)C)/C(C)=C\C/C=C(/F)CCNC
InChIInChI=1S/C18H32FN/c1-6-17(11-7-9-15(2)3)16(4)10-8-12-18(19)13-14-20-5/h6,10,12,15,20H,7-9,11,13-14H2,1-5H3/b16-10-,17-6?,18-12+
InChIKeyPKGFKKXXQDRUKL-OVWNEYRCSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine
CID 123937422
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882
(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
CID 130370887
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
(2E,4E,6E,8E)-5-(cyclopropylmethyl)-2-ethenyl-N-ethyl-9-fluoro-3-methyl-6-[(Z)-prop-1-enyl]nona-2,4,6,8-tetraen-1-amine
CID 134594022
(Z)-N'-ethyl-2-[(3Z)-3-fluoro-8-methylundeca-1,3-dien-4-yl]-N-methylprop-1-ene-1,3-diamine
CID 139439665
(3E,5Z)-N-(2-fluoro-2-methylpropyl)-3,9-dimethyl-6-prop-1-en-2-yldodeca-1,3,5-trien-2-amine
CID 155002025
4-[(E)-2-fluorobut-1-enyl]-N-methylnonan-1-amine
CID 164053754
3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine
CID 170134777
(3E,5E)-N-(3-cyclohexylpropyl)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dien-1-amine
CID 172235507
(2Z,7E,9E)-3-[4-(5-butylcyclohepta-1,6-dien-1-yl)-3-methylbut-1-en-2-yl]-10-fluoro-6,7-dimethylundeca-2,7,9-trien-1-amine
CID 142017509

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine?
The IUPAC name of (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine (CID 137446364) is (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine.
What is the SMILES notation for (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine?
The canonical SMILES for (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine is CC=C(CCCC(C)C)/C(C)=C\C/C=C(/F)CCNC.
What is the InChIKey of (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine?
The InChIKey is PKGFKKXXQDRUKL-OVWNEYRCSA-N. The full InChI is InChI=1S/C18H32FN/c1-6-17(11-7-9-15(2)3)16(4)10-8-12-18(19)13-14-20-5/h6,10,12,15,20H,7-9,11,13-14H2,1-5H3/b16-10-,17-6?,18-12+.
What are the key properties of (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine?
(3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine has a molecular weight of 281.46 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-8-ethylidene-3-fluoro-N,7,12-trimethyltrideca-3,6-dien-1-amine is sourced from PubChem (CID 137446364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).