5-(1-aminoethyl)-1H-pyrrol-2-amine

C6H11N3 — CID 130000462

IUPAC5-(1-aminoethyl)-1H-pyrrol-2-amine
SMILESCC(N)c1ccc(N)[nH]1
InChIInChI=1S/C6H11N3/c1-4(7)5-2-3-6(8)9-5/h2-4,9H,7-8H2,1H3
InChIKeyOLEIIIKFBKWRSI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.62
Rot. Bonds1

About 5-(1-aminoethyl)-1H-pyrrol-2-amine

5-(1-aminoethyl)-1H-pyrrol-2-amine (PubChem CID 130000462) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(1-aminoethyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-1H-pyrrol-2-amine
PubChem CID130000462
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-(1-aminoethyl)-1H-pyrrol-2-amine
SMILESCC(N)c1ccc(N)[nH]1
InChIInChI=1S/C6H11N3/c1-4(7)5-2-3-6(8)9-5/h2-4,9H,7-8H2,1H3
InChIKeyOLEIIIKFBKWRSI-UHFFFAOYSA-N
XLogP0.62
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(R)-amino(cyclopropyl)methyl]-1H-pyrrol-2-amine
CID 130713826
5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
CID 96735832
3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
CID 96689933
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424
(1S)-2-methyl-1-(5-methyl-1H-pyrrol-2-yl)propan-1-amine
CID 130648459
1-(1H-pyrazol-5-yl)ethanamine;dihydrochloride
CID 21114808
1-(7-chloro-1H-indol-2-yl)ethanamine
CID 65333202
(1R)-1-(7-fluoro-1H-indol-2-yl)ethanamine
CID 96742272
1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177
1-[2-(4-bromophenyl)-1H-imidazol-5-yl]ethanamine
CID 82379767
(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
CID 55276789
6-(1-aminoethyl)-1H-pyridin-2-one;1-(6-methoxy-2-pyridinyl)ethanamine
CID 160941521

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-1H-pyrrol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-1H-pyrrol-2-amine (CID 130000462) is 5-(1-aminoethyl)-1H-pyrrol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-1H-pyrrol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-1H-pyrrol-2-amine is CC(N)c1ccc(N)[nH]1.
What is the InChIKey of 5-(1-aminoethyl)-1H-pyrrol-2-amine?
The InChIKey is OLEIIIKFBKWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4(7)5-2-3-6(8)9-5/h2-4,9H,7-8H2,1H3.
What are the key properties of 5-(1-aminoethyl)-1H-pyrrol-2-amine?
5-(1-aminoethyl)-1H-pyrrol-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 130000462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).