N,N,6-trimethylundec-9-en-1-amine oxide

C14H29NO — CID 54461411

IUPACN,N,6-trimethylundec-9-en-1-amine oxide
SMILESCC=CCCC(C)CCCCC[N+](C)(C)[O-]
InChIInChI=1S/C14H29NO/c1-5-6-8-11-14(2)12-9-7-10-13-15(3,4)16/h5-6,14H,7-13H2,1-4H3
InChIKeyXBWKNXPWDTXDGJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.11
Rot. Bonds9

About N,N,6-trimethylundec-9-en-1-amine oxide

N,N,6-trimethylundec-9-en-1-amine oxide (PubChem CID 54461411) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N,6-trimethylundec-9-en-1-amine oxide.

Molecular Properties

Compound NameN,N,6-trimethylundec-9-en-1-amine oxide
PubChem CID54461411
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N,6-trimethylundec-9-en-1-amine oxide
SMILESCC=CCCC(C)CCCCC[N+](C)(C)[O-]
InChIInChI=1S/C14H29NO/c1-5-6-8-11-14(2)12-9-7-10-13-15(3,4)16/h5-6,14H,7-13H2,1-4H3
InChIKeyXBWKNXPWDTXDGJ-UHFFFAOYSA-N
XLogP4.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
(E)-19-methyltricos-2-ene
CID 173194552
2-methyldec-8-en-1-ol
CID 151918594
N,N,4,8,12-pentamethyltridecan-1-amine oxide
CID 58133406
6-methylnon-2-ene
CID 21361194
8-methyltridec-2-ene
CID 154258032
(E)-3-methyloct-6-en-1-ol
CID 14091580
trimethyl-[(E)-oct-6-enyl]azanium
CID 102116303
(E)-11-methyldodec-2-ene
CID 134687647
(Z,3R)-3-methylnon-7-en-1-amine
CID 174038917
(E)-5,17,23-trimethylheptacos-13-ene
CID 173194440
(E)-non-7-en-2-ol
CID 14615052

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethylundec-9-en-1-amine oxide?
The IUPAC name of N,N,6-trimethylundec-9-en-1-amine oxide (CID 54461411) is N,N,6-trimethylundec-9-en-1-amine oxide.
What is the SMILES notation for N,N,6-trimethylundec-9-en-1-amine oxide?
The canonical SMILES for N,N,6-trimethylundec-9-en-1-amine oxide is CC=CCCC(C)CCCCC[N+](C)(C)[O-].
What is the InChIKey of N,N,6-trimethylundec-9-en-1-amine oxide?
The InChIKey is XBWKNXPWDTXDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-8-11-14(2)12-9-7-10-13-15(3,4)16/h5-6,14H,7-13H2,1-4H3.
What are the key properties of N,N,6-trimethylundec-9-en-1-amine oxide?
N,N,6-trimethylundec-9-en-1-amine oxide has a molecular weight of 227.39 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethylundec-9-en-1-amine oxide is sourced from PubChem (CID 54461411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).