trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine

C9H19NO2 — CID 156885950

IUPACtrans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine
SMILESCOCCO[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C9H19NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyCEMOSUMMGURTAI-RKDXNWHRSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine

trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine (PubChem CID 156885950) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine
PubChem CID156885950
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametrans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine
SMILESCOCCO[C@@H]1CCC[C@@H](N)C1
InChIInChI=1S/C9H19NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyCEMOSUMMGURTAI-RKDXNWHRSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-amine
CID 79466003
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
CID 112587357
3-(2-propoxyethoxy)cyclohexan-1-amine
CID 79618913
4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
CID 106938707
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
2-methoxyethoxycyclohexane
CID 20550469
3-(3-aminocyclohexyl)oxy-N-ethylpropanamide
CID 79464664
3-(2-piperidin-1-ylethoxy)cyclohexan-1-amine
CID 79465695
3-(2-ethoxyethoxy)cyclopentan-1-amine
CID 79465467
cis-(1R,3S)-3-(methoxymethoxy)cyclopentan-1-amine
CID 163636034
2-(3-aminocyclohexyl)oxyacetonitrile
CID 79464980
2-methoxyethyl 3-aminocyclohexane-1-carboxylate
CID 63043382

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine (CID 156885950) is trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine is COCCO[C@@H]1CCC[C@@H](N)C1.
What is the InChIKey of trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine?
The InChIKey is CEMOSUMMGURTAI-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine?
trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2-methoxyethoxy)cyclohexan-1-amine is sourced from PubChem (CID 156885950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).