ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine

C16H35NO — CID 145139837

IUPACethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine
SMILESCC.CCC1CC(C)(NCCOC)CC(C)C1C
InChIInChI=1S/C14H29NO.C2H6/c1-6-13-10-14(4,15-7-8-16-5)9-11(2)12(13)3;1-2/h11-13,15H,6-10H2,1-5H3;1-2H3
InChIKeyOTCGSZDZYBMOHI-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.10
Rot. Bonds5

About ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine

ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine (PubChem CID 145139837) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine
PubChem CID145139837
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Nameethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine
SMILESCC.CCC1CC(C)(NCCOC)CC(C)C1C
InChIInChI=1S/C14H29NO.C2H6/c1-6-13-10-14(4,15-7-8-16-5)9-11(2)12(13)3;1-2/h11-13,15H,6-10H2,1-5H3;1-2H3
InChIKeyOTCGSZDZYBMOHI-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine?
The IUPAC name of ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine (CID 145139837) is ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine?
The canonical SMILES for ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine is CC.CCC1CC(C)(NCCOC)CC(C)C1C.
What is the InChIKey of ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine?
The InChIKey is OTCGSZDZYBMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C2H6/c1-6-13-10-14(4,15-7-8-16-5)9-11(2)12(13)3;1-2/h11-13,15H,6-10H2,1-5H3;1-2H3.
What are the key properties of ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine?
ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N-(2-methoxyethyl)-1,4,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 145139837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).