methanidyl-(4-methoxycyclohexyl)azanium

C8H17NO — CID 123668080

IUPACmethanidyl-(4-methoxycyclohexyl)azanium
SMILES[CH2-][NH2+]C1CCC(OC)CC1
InChIInChI=1S/C8H17NO/c1-9-7-3-5-8(10-2)6-4-7/h7-8H,1,3-6,9H2,2H3
InChIKeyBWWLMCIBDGGCGS-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.30
Rot. Bonds2

About methanidyl-(4-methoxycyclohexyl)azanium

methanidyl-(4-methoxycyclohexyl)azanium (PubChem CID 123668080) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is methanidyl-(4-methoxycyclohexyl)azanium.

Molecular Properties

Compound Namemethanidyl-(4-methoxycyclohexyl)azanium
PubChem CID123668080
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namemethanidyl-(4-methoxycyclohexyl)azanium
SMILES[CH2-][NH2+]C1CCC(OC)CC1
InChIInChI=1S/C8H17NO/c1-9-7-3-5-8(10-2)6-4-7/h7-8H,1,3-6,9H2,2H3
InChIKeyBWWLMCIBDGGCGS-UHFFFAOYSA-N
XLogP0.30
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
ethane-1,2-diol;methoxycyclopropane
CID 174681664
(4-methoxycyclohexyl)phosphane
CID 89371485
methoxycyclopentane;dihydrate
CID 159895201
methoxycyclooctane
CID 551195
azane;methoxycyclopentane
CID 70270429
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
CID 139555769
CID 6395483
CID 6395483
4-methoxycyclooctan-1-ol
CID 12651700
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
formaldehyde;methoxycyclohexane
CID 142252216

Frequently Asked Questions

What is the IUPAC name of methanidyl-(4-methoxycyclohexyl)azanium?
The IUPAC name of methanidyl-(4-methoxycyclohexyl)azanium (CID 123668080) is methanidyl-(4-methoxycyclohexyl)azanium.
What is the SMILES notation for methanidyl-(4-methoxycyclohexyl)azanium?
The canonical SMILES for methanidyl-(4-methoxycyclohexyl)azanium is [CH2-][NH2+]C1CCC(OC)CC1.
What is the InChIKey of methanidyl-(4-methoxycyclohexyl)azanium?
The InChIKey is BWWLMCIBDGGCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-7-3-5-8(10-2)6-4-7/h7-8H,1,3-6,9H2,2H3.
What are the key properties of methanidyl-(4-methoxycyclohexyl)azanium?
methanidyl-(4-methoxycyclohexyl)azanium has a molecular weight of 143.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(4-methoxycyclohexyl)azanium is sourced from PubChem (CID 123668080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).