5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine

C13H26N2 — CID 142050772

IUPAC5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCCC.CC1=NCCC1
InChIInChI=1S/C8H17N.C5H9N/c1-5-6-7-9(4)8(2)3;1-5-3-2-4-6-5/h2,5-7H2,1,3-4H3;2-4H2,1H3
InChIKeyUTPFQORDIXCHPK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.49
Rot. Bonds4

About 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine

5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 142050772) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID142050772
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCCC.CC1=NCCC1
InChIInChI=1S/C8H17N.C5H9N/c1-5-6-7-9(4)8(2)3;1-5-3-2-4-6-5/h2,5-7H2,1,3-4H3;2-4H2,1H3
InChIKeyUTPFQORDIXCHPK-UHFFFAOYSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 142050772) is 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(C)CCCC.CC1=NCCC1.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is UTPFQORDIXCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H9N/c1-5-6-7-9(4)8(2)3;1-5-3-2-4-6-5/h2,5-7H2,1,3-4H3;2-4H2,1H3.
What are the key properties of 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine?
5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-pyrrole;N-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 142050772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).