trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine

C11H23NO — CID 93051534

IUPACtrans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
SMILESCCOCCN[C@@H]1CCC[C@@H](C)C1
InChIInChI=1S/C11H23NO/c1-3-13-8-7-12-11-6-4-5-10(2)9-11/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyBGNNRSIHQVGDQK-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine

trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine (PubChem CID 93051534) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
PubChem CID93051534
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
SMILESCCOCCN[C@@H]1CCC[C@@H](C)C1
InChIInChI=1S/C11H23NO/c1-3-13-8-7-12-11-6-4-5-10(2)9-11/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyBGNNRSIHQVGDQK-GHMZBOCLSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N',N'-bis(2-ethoxyethyl)-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 82944024
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine (CID 93051534) is trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine is CCOCCN[C@@H]1CCC[C@@H](C)C1.
What is the InChIKey of trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine?
The InChIKey is BGNNRSIHQVGDQK-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-13-8-7-12-11-6-4-5-10(2)9-11/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine?
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 93051534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).