acetic acid;N-ethylcyclohexanamine

C10H21NO2 — CID 66685670

IUPACacetic acid;N-ethylcyclohexanamine
SMILESCC(=O)O.CCNC1CCCCC1
InChIInChI=1S/C8H17N.C2H4O2/c1-2-9-8-6-4-3-5-7-8;1-2(3)4/h8-9H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyNJMCTPKAWVUWTK-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.02
Rot. Bonds2

About acetic acid;N-ethylcyclohexanamine

acetic acid;N-ethylcyclohexanamine (PubChem CID 66685670) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is acetic acid;N-ethylcyclohexanamine.

Molecular Properties

Compound Nameacetic acid;N-ethylcyclohexanamine
PubChem CID66685670
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameacetic acid;N-ethylcyclohexanamine
SMILESCC(=O)O.CCNC1CCCCC1
InChIInChI=1S/C8H17N.C2H4O2/c1-2-9-8-6-4-3-5-7-8;1-2(3)4/h8-9H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyNJMCTPKAWVUWTK-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethylcyclohexanamine?
The IUPAC name of acetic acid;N-ethylcyclohexanamine (CID 66685670) is acetic acid;N-ethylcyclohexanamine.
What is the SMILES notation for acetic acid;N-ethylcyclohexanamine?
The canonical SMILES for acetic acid;N-ethylcyclohexanamine is CC(=O)O.CCNC1CCCCC1.
What is the InChIKey of acetic acid;N-ethylcyclohexanamine?
The InChIKey is NJMCTPKAWVUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H4O2/c1-2-9-8-6-4-3-5-7-8;1-2(3)4/h8-9H,2-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-ethylcyclohexanamine?
acetic acid;N-ethylcyclohexanamine has a molecular weight of 187.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethylcyclohexanamine is sourced from PubChem (CID 66685670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).