4-(1-propylpyrrol-3-yl)butan-2-amine

C11H20N2 — CID 66414735

IUPAC4-(1-propylpyrrol-3-yl)butan-2-amine
SMILESCCCn1ccc(CCC(C)N)c1
InChIInChI=1S/C11H20N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h6,8-10H,3-5,7,12H2,1-2H3
InChIKeyRDBVSGHYJNTJHV-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.18
Rot. Bonds5

About 4-(1-propylpyrrol-3-yl)butan-2-amine

4-(1-propylpyrrol-3-yl)butan-2-amine (PubChem CID 66414735) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(1-propylpyrrol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-propylpyrrol-3-yl)butan-2-amine
PubChem CID66414735
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(1-propylpyrrol-3-yl)butan-2-amine
SMILESCCCn1ccc(CCC(C)N)c1
InChIInChI=1S/C11H20N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h6,8-10H,3-5,7,12H2,1-2H3
InChIKeyRDBVSGHYJNTJHV-UHFFFAOYSA-N
XLogP2.18
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrrol-3-yl)butan-2-amine?
The IUPAC name of 4-(1-propylpyrrol-3-yl)butan-2-amine (CID 66414735) is 4-(1-propylpyrrol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(1-propylpyrrol-3-yl)butan-2-amine?
The canonical SMILES for 4-(1-propylpyrrol-3-yl)butan-2-amine is CCCn1ccc(CCC(C)N)c1.
What is the InChIKey of 4-(1-propylpyrrol-3-yl)butan-2-amine?
The InChIKey is RDBVSGHYJNTJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h6,8-10H,3-5,7,12H2,1-2H3.
What are the key properties of 4-(1-propylpyrrol-3-yl)butan-2-amine?
4-(1-propylpyrrol-3-yl)butan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrrol-3-yl)butan-2-amine is sourced from PubChem (CID 66414735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).