2,2-dimethoxycyclohexan-1-amine

C8H17NO2 — CID 10866620

IUPAC2,2-dimethoxycyclohexan-1-amine
SMILESCOC1(OC)CCCCC1N
InChIInChI=1S/C8H17NO2/c1-10-8(11-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyMCOLOLWDFKRJSF-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds2

About 2,2-dimethoxycyclohexan-1-amine

2,2-dimethoxycyclohexan-1-amine (PubChem CID 10866620) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,2-dimethoxycyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethoxycyclohexan-1-amine
PubChem CID10866620
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2,2-dimethoxycyclohexan-1-amine
SMILESCOC1(OC)CCCCC1N
InChIInChI=1S/C8H17NO2/c1-10-8(11-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyMCOLOLWDFKRJSF-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxycyclohexan-1-amine?
The IUPAC name of 2,2-dimethoxycyclohexan-1-amine (CID 10866620) is 2,2-dimethoxycyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethoxycyclohexan-1-amine?
The canonical SMILES for 2,2-dimethoxycyclohexan-1-amine is COC1(OC)CCCCC1N.
What is the InChIKey of 2,2-dimethoxycyclohexan-1-amine?
The InChIKey is MCOLOLWDFKRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-8(11-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2,2-dimethoxycyclohexan-1-amine?
2,2-dimethoxycyclohexan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxycyclohexan-1-amine is sourced from PubChem (CID 10866620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).