2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine

C11H21NO — CID 79177738

IUPAC2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCOC1
InChIInChI=1S/C11H21NO/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3
InChIKeyMIRVUYABGNPEAK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine

2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine (PubChem CID 79177738) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine
PubChem CID79177738
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCOC1
InChIInChI=1S/C11H21NO/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3
InChIKeyMIRVUYABGNPEAK-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine (CID 79177738) is 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CCOC1.
What is the InChIKey of 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine?
The InChIKey is MIRVUYABGNPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-12-11(9(2)3)10-5-7-13-8-10/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine?
2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79177738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).