N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine

C11H21NO — CID 80684020

IUPACN-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)C1(C)CCCCO1
InChIInChI=1S/C11H21NO/c1-4-10(12-5-2)11(3)8-6-7-9-13-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyPZLLEUKTXWPSDZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine

N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine (PubChem CID 80684020) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
PubChem CID80684020
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)C1(C)CCCCO1
InChIInChI=1S/C11H21NO/c1-4-10(12-5-2)11(3)8-6-7-9-13-11/h4,10,12H,1,5-9H2,2-3H3
InChIKeyPZLLEUKTXWPSDZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine (CID 80684020) is N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine is C=CC(NCC)C1(C)CCCCO1.
What is the InChIKey of N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The InChIKey is PZLLEUKTXWPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(12-5-2)11(3)8-6-7-9-13-11/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 80684020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).