2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine

C23H41FN2 — CID 174279346

IUPAC2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CN(C)C)N(C)CCC1C=C(F)CC/C=C\C(C)=C1CC(C)C
InChIInChI=1S/C23H41FN2/c1-8-22(17-25(5)6)26(7)14-13-20-16-21(24)12-10-9-11-19(4)23(20)15-18(2)3/h9,11,16,18,20,22H,8,10,12-15,17H2,1-7H3/b11-9-,21-16?,23-19?
InChIKeyUWJQQGQAWOBNJI-KRCRFCQQSA-N
MW364.59 g/mol
LogP5.83
Rot. Bonds9

About 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine

2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 174279346) has the molecular formula C23H41FN2 and a molecular weight of 364.59 g/mol. Its IUPAC name is 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine
PubChem CID174279346
Molecular FormulaC23H41FN2
Molecular Weight364.59 g/mol
Exact Mass364.33
IUPAC Name2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CN(C)C)N(C)CCC1C=C(F)CC/C=C\C(C)=C1CC(C)C
InChIInChI=1S/C23H41FN2/c1-8-22(17-25(5)6)26(7)14-13-20-16-21(24)12-10-9-11-19(4)23(20)15-18(2)3/h9,11,16,18,20,22H,8,10,12-15,17H2,1-7H3/b11-9-,21-16?,23-19?
InChIKeyUWJQQGQAWOBNJI-KRCRFCQQSA-N
XLogP5.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
1-N,2-N,2-N-trimethyl-1-N-[(3E,5Z)-3-methyl-2-(1-methylcyclohexyl)-7-(trifluoromethyl)octa-3,5,7-trienyl]butane-1,2-diamine
CID 143036773
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
N-ethyl-N-[3-(4-methylcyclohexa-2,4-dien-1-yl)propyl]heptan-2-amine
CID 70230155
N,N,4-trimethyl-10-propyltetradeca-10,12-dien-6-amine
CID 123746640
N-ethyl-N-methyl-4-(4-methylcyclonona-1,4,6-trien-1-yl)cycloheptan-1-amine
CID 123748546
(9E,11Z,13E)-6-ethenyl-N-ethyl-9,10-dimethyl-N-(2-methylheptan-4-yl)-3-methylidenepentadeca-9,11,13-trien-1-amine
CID 139353167
(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 143252754
(7Z)-N,5-dimethyl-6-methylidene-N-pentyldeca-7,9-dien-2-amine;ethane
CID 144130852
N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine
CID 144606409
N-(2,2-dimethylbutyl)-N,N'-diethyl-N'-[5-[(3E)-hexa-1,3,5-trien-3-yl]cyclooctyl]ethane-1,2-diamine;ethane
CID 145196079
ethane;1-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]cyclooctyl]-4-propylpiperazine
CID 145196085

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine (CID 174279346) is 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine is CCC(CN(C)C)N(C)CCC1C=C(F)CC/C=C\C(C)=C1CC(C)C.
What is the InChIKey of 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is UWJQQGQAWOBNJI-KRCRFCQQSA-N. The full InChI is InChI=1S/C23H41FN2/c1-8-22(17-25(5)6)26(7)14-13-20-16-21(24)12-10-9-11-19(4)23(20)15-18(2)3/h9,11,16,18,20,22H,8,10,12-15,17H2,1-7H3/b11-9-,21-16?,23-19?.
What are the key properties of 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine?
2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 364.59 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[(4Z)-8-fluoro-3-methyl-2-(2-methylpropyl)cyclonona-2,4,8-trien-1-yl]ethyl]-1-N,1-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 174279346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).