N,N-dimethyl-6-phenylhexan-1-amine oxide

C14H23NO — CID 18702344

IUPACN,N-dimethyl-6-phenylhexan-1-amine oxide
SMILESC[N+](C)([O-])CCCCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-15(2,16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,3-4,6,9-10,13H2,1-2H3
InChIKeyRXESHNKWUHNRKN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds7

About N,N-dimethyl-6-phenylhexan-1-amine oxide

N,N-dimethyl-6-phenylhexan-1-amine oxide (PubChem CID 18702344) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dimethyl-6-phenylhexan-1-amine oxide.

Molecular Properties

Compound NameN,N-dimethyl-6-phenylhexan-1-amine oxide
PubChem CID18702344
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dimethyl-6-phenylhexan-1-amine oxide
SMILESC[N+](C)([O-])CCCCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-15(2,16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,3-4,6,9-10,13H2,1-2H3
InChIKeyRXESHNKWUHNRKN-UHFFFAOYSA-N
XLogP3.36
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

ethyl-dimethyl-(4-phenylbutyl)azanium
CID 12951677
dimethyl-octadecyl-(19-phenylnonadecyl)azanium chloride
CID 53421503
4-phenylbutylbenzene
CID 141301927
ethenyl-dimethyl-(19-phenylnonadecyl)azanium chloride
CID 70567978
dodecylbenzene;sulfane
CID 20560423
hexadecyl-dimethyl-(3-phenylpropyl)azanium
CID 71351064
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenylhexan-1-amine oxide?
The IUPAC name of N,N-dimethyl-6-phenylhexan-1-amine oxide (CID 18702344) is N,N-dimethyl-6-phenylhexan-1-amine oxide.
What is the SMILES notation for N,N-dimethyl-6-phenylhexan-1-amine oxide?
The canonical SMILES for N,N-dimethyl-6-phenylhexan-1-amine oxide is C[N+](C)([O-])CCCCCCc1ccccc1.
What is the InChIKey of N,N-dimethyl-6-phenylhexan-1-amine oxide?
The InChIKey is RXESHNKWUHNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-15(2,16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-6-phenylhexan-1-amine oxide?
N,N-dimethyl-6-phenylhexan-1-amine oxide has a molecular weight of 221.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenylhexan-1-amine oxide is sourced from PubChem (CID 18702344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).