1-(1-propylpyrrol-3-yl)propan-2-amine

C10H18N2 — CID 14739640

IUPAC1-(1-propylpyrrol-3-yl)propan-2-amine
SMILESCCCn1ccc(CC(C)N)c1
InChIInChI=1S/C10H18N2/c1-3-5-12-6-4-10(8-12)7-9(2)11/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyVKORMZSTGMIZMP-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.79
Rot. Bonds4

About 1-(1-propylpyrrol-3-yl)propan-2-amine

1-(1-propylpyrrol-3-yl)propan-2-amine (PubChem CID 14739640) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(1-propylpyrrol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-propylpyrrol-3-yl)propan-2-amine
PubChem CID14739640
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(1-propylpyrrol-3-yl)propan-2-amine
SMILESCCCn1ccc(CC(C)N)c1
InChIInChI=1S/C10H18N2/c1-3-5-12-6-4-10(8-12)7-9(2)11/h4,6,8-9H,3,5,7,11H2,1-2H3
InChIKeyVKORMZSTGMIZMP-UHFFFAOYSA-N
XLogP1.79
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-propylpyrrol-3-yl)butan-2-amine
CID 66414735
1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296
1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
CID 66406292
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
CID 66406500
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
6-[3-(2-aminopropyl)pyrrol-1-yl]-2,2-dimethylhexanenitrile
CID 106714533
4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66398211

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-propylpyrrol-3-yl)propan-2-amine (CID 14739640) is 1-(1-propylpyrrol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-propylpyrrol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-propylpyrrol-3-yl)propan-2-amine is CCCn1ccc(CC(C)N)c1.
What is the InChIKey of 1-(1-propylpyrrol-3-yl)propan-2-amine?
The InChIKey is VKORMZSTGMIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-12-6-4-10(8-12)7-9(2)11/h4,6,8-9H,3,5,7,11H2,1-2H3.
What are the key properties of 1-(1-propylpyrrol-3-yl)propan-2-amine?
1-(1-propylpyrrol-3-yl)propan-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrol-3-yl)propan-2-amine is sourced from PubChem (CID 14739640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).