(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine

C10H18N2 — CID 55276323

IUPAC(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine
SMILESCCCc1c[nH]cc1[C@H](N)CC
InChIInChI=1S/C10H18N2/c1-3-5-8-6-12-7-9(8)10(11)4-2/h6-7,10,12H,3-5,11H2,1-2H3/t10-/m1/s1
InChIKeyKWNZWWSVVDBNKZ-SNVBAGLBSA-N
MW166.27 g/mol
LogP2.38
Rot. Bonds4

About (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine

(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine (PubChem CID 55276323) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine
PubChem CID55276323
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine
SMILESCCCc1c[nH]cc1[C@H](N)CC
InChIInChI=1S/C10H18N2/c1-3-5-8-6-12-7-9(8)10(11)4-2/h6-7,10,12H,3-5,11H2,1-2H3/t10-/m1/s1
InChIKeyKWNZWWSVVDBNKZ-SNVBAGLBSA-N
XLogP2.38
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine (CID 55276323) is (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine is CCCc1c[nH]cc1[C@H](N)CC.
What is the InChIKey of (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is KWNZWWSVVDBNKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-8-6-12-7-9(8)10(11)4-2/h6-7,10,12H,3-5,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine?
(1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-propyl-1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 55276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).