3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine

C9H18N2 — CID 18983423

IUPAC3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine
SMILESCCC(C)C1(C)CN=C(N)C1
InChIInChI=1S/C9H18N2/c1-4-7(2)9(3)5-8(10)11-6-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYTNCWNYUYIUHHC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.80
Rot. Bonds2

About 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine

3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine (PubChem CID 18983423) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine
PubChem CID18983423
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine
SMILESCCC(C)C1(C)CN=C(N)C1
InChIInChI=1S/C9H18N2/c1-4-7(2)9(3)5-8(10)11-6-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYTNCWNYUYIUHHC-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine (CID 18983423) is 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine is CCC(C)C1(C)CN=C(N)C1.
What is the InChIKey of 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine?
The InChIKey is YTNCWNYUYIUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-7(2)9(3)5-8(10)11-6-9/h7H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine?
3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine has a molecular weight of 154.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-methyl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).