(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine

C16H28FN — CID 126586946

IUPAC(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
SMILESC=C(C/C=C\C=C/CC(C)(C)F)NCC(C)(C)C
InChIInChI=1S/C16H28FN/c1-14(18-13-15(2,3)4)11-9-7-8-10-12-16(5,6)17/h7-10,18H,1,11-13H2,2-6H3/b9-7-,10-8-
InChIKeyBSHLCQFIQGWDKM-XOHWUJONSA-N
MW253.40 g/mol
LogP4.78
Rot. Bonds7

About (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine

(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine (PubChem CID 126586946) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
PubChem CID126586946
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC Name(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
SMILESC=C(C/C=C\C=C/CC(C)(C)F)NCC(C)(C)C
InChIInChI=1S/C16H28FN/c1-14(18-13-15(2,3)4)11-9-7-8-10-12-16(5,6)17/h7-10,18H,1,11-13H2,2-6H3/b9-7-,10-8-
InChIKeyBSHLCQFIQGWDKM-XOHWUJONSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine with MolForge

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Related Compounds

(4Z,6E,7E,9Z)-6-(3-fluoro-3-methylbutylidene)-N-hepta-1,6-dien-2-yl-2,2,7,9-tetramethylundeca-4,7,9-trien-1-amine
CID 126586993
(Z)-N-(1-fluoroprop-2-enyl)-5-methylhex-2-en-2-amine
CID 130233741
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(4Z,7Z,9Z)-5-(ethylamino)-12-fluoro-3-methyltrideca-4,7,9-trienenitrile
CID 132096150
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine?
The IUPAC name of (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine (CID 126586946) is (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine?
The canonical SMILES for (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine is C=C(C/C=C\C=C/CC(C)(C)F)NCC(C)(C)C.
What is the InChIKey of (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine?
The InChIKey is BSHLCQFIQGWDKM-XOHWUJONSA-N. The full InChI is InChI=1S/C16H28FN/c1-14(18-13-15(2,3)4)11-9-7-8-10-12-16(5,6)17/h7-10,18H,1,11-13H2,2-6H3/b9-7-,10-8-.
What are the key properties of (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine?
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine has a molecular weight of 253.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine is sourced from PubChem (CID 126586946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).