2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane

C19H43N — CID 177053875

IUPAC2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane
SMILESC=C(C)N1CC(C)CC1C.CC.CC.CCC(C)CC
InChIInChI=1S/C9H17N.C6H14.2C2H6/c1-7(2)10-6-8(3)5-9(10)4;1-4-6(3)5-2;2*1-2/h8-9H,1,5-6H2,2-4H3;6H,4-5H2,1-3H3;2*1-2H3
InChIKeyRJKAFWAPDMOREK-UHFFFAOYSA-N
MW285.56 g/mol
LogP6.75
Rot. Bonds3

About 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane

2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane (PubChem CID 177053875) has the molecular formula C19H43N and a molecular weight of 285.56 g/mol. Its IUPAC name is 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane.

Molecular Properties

Compound Name2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane
PubChem CID177053875
Molecular FormulaC19H43N
Molecular Weight285.56 g/mol
Exact Mass285.34
IUPAC Name2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane
SMILESC=C(C)N1CC(C)CC1C.CC.CC.CCC(C)CC
InChIInChI=1S/C9H17N.C6H14.2C2H6/c1-7(2)10-6-8(3)5-9(10)4;1-4-6(3)5-2;2*1-2/h8-9H,1,5-6H2,2-4H3;6H,4-5H2,1-3H3;2*1-2H3
InChIKeyRJKAFWAPDMOREK-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane?
The IUPAC name of 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane (CID 177053875) is 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane.
What is the SMILES notation for 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane?
The canonical SMILES for 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane is C=C(C)N1CC(C)CC1C.CC.CC.CCC(C)CC.
What is the InChIKey of 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane?
The InChIKey is RJKAFWAPDMOREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C6H14.2C2H6/c1-7(2)10-6-8(3)5-9(10)4;1-4-6(3)5-2;2*1-2/h8-9H,1,5-6H2,2-4H3;6H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane?
2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane has a molecular weight of 285.56 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane is sourced from PubChem (CID 177053875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).