N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine

C17H26FNO — CID 156730810

IUPACN-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine
SMILESC=CC(=C)/C=C\C(=C)C(C)(F)CCN(C)C1(C)COC1
InChIInChI=1S/C17H26FNO/c1-7-14(2)8-9-15(3)17(5,18)10-11-19(6)16(4)12-20-13-16/h7-9H,1-3,10-13H2,4-6H3/b9-8-
InChIKeyCBIDRVWEXIHCJM-HJWRWDBZSA-N
MW279.40 g/mol
LogP3.68
Rot. Bonds8

About N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine

N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine (PubChem CID 156730810) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine.

Molecular Properties

Compound NameN-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine
PubChem CID156730810
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine
SMILESC=CC(=C)/C=C\C(=C)C(C)(F)CCN(C)C1(C)COC1
InChIInChI=1S/C17H26FNO/c1-7-14(2)8-9-15(3)17(5,18)10-11-19(6)16(4)12-20-13-16/h7-9H,1-3,10-13H2,4-6H3/b9-8-
InChIKeyCBIDRVWEXIHCJM-HJWRWDBZSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine?
The IUPAC name of N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine (CID 156730810) is N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine.
What is the SMILES notation for N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine?
The canonical SMILES for N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine is C=CC(=C)/C=C\C(=C)C(C)(F)CCN(C)C1(C)COC1.
What is the InChIKey of N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine?
The InChIKey is CBIDRVWEXIHCJM-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H26FNO/c1-7-14(2)8-9-15(3)17(5,18)10-11-19(6)16(4)12-20-13-16/h7-9H,1-3,10-13H2,4-6H3/b9-8-.
What are the key properties of N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine?
N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine has a molecular weight of 279.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-3-fluoro-3-methyl-4,7-dimethylidenenona-5,8-dienyl]-N,3-dimethyloxetan-3-amine is sourced from PubChem (CID 156730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).