N,N-diethylcycloocten-1-amine oxide

C12H23NO — CID 175982380

IUPACN,N-diethylcycloocten-1-amine oxide
SMILESCC[N+]([O-])(CC)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-3-13(14,4-2)12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3
InChIKeyIYKWCMPDYQDCDO-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.58
Rot. Bonds3

About N,N-diethylcycloocten-1-amine oxide

N,N-diethylcycloocten-1-amine oxide (PubChem CID 175982380) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-diethylcycloocten-1-amine oxide.

Molecular Properties

Compound NameN,N-diethylcycloocten-1-amine oxide
PubChem CID175982380
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-diethylcycloocten-1-amine oxide
SMILESCC[N+]([O-])(CC)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-3-13(14,4-2)12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3
InChIKeyIYKWCMPDYQDCDO-UHFFFAOYSA-N
XLogP3.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)cycloheptene;trichloro(ethyl)silane
CID 67277470
bicyclo[5.2.2]undeca-1,6-diene
CID 71408872
chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
CID 66646162
(1E)-1-ethoxycyclodecene
CID 164771748
(1E)-1-(methylsulfanylmethyl)cyclooctene
CID 87205341
(1E)-1-ethoxycyclodecene;(1E)-1-ethoxycyclododecene;1-ethoxycycloheptene;1-ethoxycyclohexene;(1E)-1-ethoxycyclononene;(1E)-1-ethoxycyclooctene;(1E)-1-ethoxycyclotetradecene;(1E)-1-ethoxycyclotridecene;(1E)-1-ethoxycycloundecene
CID 165044943
1-iodocyclodecene
CID 72665352
(1E)-1-iodocyclononene
CID 169083106
1-butylcyclononene
CID 56981158
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
lithium (1E)-cyclododecen-1-olate
CID 23682255

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcycloocten-1-amine oxide?
The IUPAC name of N,N-diethylcycloocten-1-amine oxide (CID 175982380) is N,N-diethylcycloocten-1-amine oxide.
What is the SMILES notation for N,N-diethylcycloocten-1-amine oxide?
The canonical SMILES for N,N-diethylcycloocten-1-amine oxide is CC[N+]([O-])(CC)C1=CCCCCCC1.
What is the InChIKey of N,N-diethylcycloocten-1-amine oxide?
The InChIKey is IYKWCMPDYQDCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(14,4-2)12-10-8-6-5-7-9-11-12/h10H,3-9,11H2,1-2H3.
What are the key properties of N,N-diethylcycloocten-1-amine oxide?
N,N-diethylcycloocten-1-amine oxide has a molecular weight of 197.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcycloocten-1-amine oxide is sourced from PubChem (CID 175982380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).