N-ethyl-N-prop-2-enylcyclohexanamine

C11H21N — CID 68653951

IUPACN-ethyl-N-prop-2-enylcyclohexanamine
SMILESC=CCN(CC)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-10-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeyRXRKZRBPHBKJFM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds4

About N-ethyl-N-prop-2-enylcyclohexanamine

N-ethyl-N-prop-2-enylcyclohexanamine (PubChem CID 68653951) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylcyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylcyclohexanamine
PubChem CID68653951
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-ethyl-N-prop-2-enylcyclohexanamine
SMILESC=CCN(CC)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-10-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3
InChIKeyRXRKZRBPHBKJFM-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enylcyclohexanamine?
The IUPAC name of N-ethyl-N-prop-2-enylcyclohexanamine (CID 68653951) is N-ethyl-N-prop-2-enylcyclohexanamine.
What is the SMILES notation for N-ethyl-N-prop-2-enylcyclohexanamine?
The canonical SMILES for N-ethyl-N-prop-2-enylcyclohexanamine is C=CCN(CC)C1CCCCC1.
What is the InChIKey of N-ethyl-N-prop-2-enylcyclohexanamine?
The InChIKey is RXRKZRBPHBKJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10-12(4-2)11-8-6-5-7-9-11/h3,11H,1,4-10H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enylcyclohexanamine?
N-ethyl-N-prop-2-enylcyclohexanamine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylcyclohexanamine is sourced from PubChem (CID 68653951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).