[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine

C13H27NO — CID 65394943

IUPAC[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
SMILESCCOCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27NO/c1-3-12-5-7-13(11-14,8-6-12)9-10-15-4-2/h12H,3-11,14H2,1-2H3
InChIKeyONEKUVLYHASBBQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds6

About [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine

[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine (PubChem CID 65394943) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
PubChem CID65394943
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
SMILESCCOCCC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27NO/c1-3-12-5-7-13(11-14,8-6-12)9-10-15-4-2/h12H,3-11,14H2,1-2H3
InChIKeyONEKUVLYHASBBQ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
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 [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine (CID 65394943) is [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine is CCOCCC1(CN)CCC(CC)CC1.
What is the InChIKey of [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine?
The InChIKey is ONEKUVLYHASBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12-5-7-13(11-14,8-6-12)9-10-15-4-2/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine?
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).