N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine

C12H23NO3 — CID 88735701

IUPACN-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine
SMILESCCCCCOC1(OC)CCCCC1=NO
InChIInChI=1S/C12H23NO3/c1-3-4-7-10-16-12(15-2)9-6-5-8-11(12)13-14/h14H,3-10H2,1-2H3
InChIKeyJLBIIIFGNGEUNG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.94
Rot. Bonds6

About N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine

N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine (PubChem CID 88735701) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine
PubChem CID88735701
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine
SMILESCCCCCOC1(OC)CCCCC1=NO
InChIInChI=1S/C12H23NO3/c1-3-4-7-10-16-12(15-2)9-6-5-8-11(12)13-14/h14H,3-10H2,1-2H3
InChIKeyJLBIIIFGNGEUNG-UHFFFAOYSA-N
XLogP2.94
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-Dimethoxycyclohexylidene)hydroxylamine
CID 71365596
(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine
CID 10537370
(NE)-N-(2,2-dimethoxycyclohexylidene)hydroxylamine
CID 12365554
N-{1,4-dioxaspiro[4.5]decan-8-ylidene}hydroxylamine
CID 15336967
(NZ)-N-(2,2-diethoxycyclohexylidene)hydroxylamine
CID 20496244
(NZ)-N-(2,2-dimethoxycyclohexylidene)hydroxylamine
CID 20496249
N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine
CID 22918654
N-(2,2-diethoxycyclohexylidene)hydroxylamine
CID 71438667
N-(1,4-dioxaspiro[4.5]decan-6-ylidene)hydroxylamine
CID 85855803
N-(3-methyl-1,4-dioxaspiro[4.5]decan-6-ylidene)hydroxylamine
CID 85922212
(NE)-N-(2,2-diethoxycyclohexylidene)hydroxylamine
CID 88736326
(NE)-N-(2,2-diethoxycyclodecylidene)hydroxylamine
CID 88737434

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine?
The IUPAC name of N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine (CID 88735701) is N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine.
What is the SMILES notation for N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine?
The canonical SMILES for N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine is CCCCCOC1(OC)CCCCC1=NO.
What is the InChIKey of N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine?
The InChIKey is JLBIIIFGNGEUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-7-10-16-12(15-2)9-6-5-8-11(12)13-14/h14H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine?
N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine has a molecular weight of 229.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-pentoxycyclohexylidene)hydroxylamine is sourced from PubChem (CID 88735701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).