1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine

C13H25N3 — CID 79104699

IUPAC1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CCN(CC)CC)c1
InChIInChI=1S/C13H25N3/c1-4-13(14)12-7-8-16(11-12)10-9-15(5-2)6-3/h7-8,11,13H,4-6,9-10,14H2,1-3H3
InChIKeyMBDZBHFBMFFSQH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.24
Rot. Bonds7

About 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine

1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79104699) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID79104699
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(CCN(CC)CC)c1
InChIInChI=1S/C13H25N3/c1-4-13(14)12-7-8-16(11-12)10-9-15(5-2)6-3/h7-8,11,13H,4-6,9-10,14H2,1-3H3
InChIKeyMBDZBHFBMFFSQH-UHFFFAOYSA-N
XLogP2.24
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine (CID 79104699) is 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(CCN(CC)CC)c1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is MBDZBHFBMFFSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(14)12-7-8-16(11-12)10-9-15(5-2)6-3/h7-8,11,13H,4-6,9-10,14H2,1-3H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine?
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).