5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine

C7H15N3 — CID 123443142

IUPAC5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine
SMILESCC1CN=C(CCN)C1N
InChIInChI=1S/C7H15N3/c1-5-4-10-6(2-3-8)7(5)9/h5,7H,2-4,8-9H2,1H3
InChIKeyISNCSJKXJIGBAR-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.25
Rot. Bonds2

About 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine

5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine (PubChem CID 123443142) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine
PubChem CID123443142
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine
SMILESCC1CN=C(CCN)C1N
InChIInChI=1S/C7H15N3/c1-5-4-10-6(2-3-8)7(5)9/h5,7H,2-4,8-9H2,1H3
InChIKeyISNCSJKXJIGBAR-UHFFFAOYSA-N
XLogP-0.25
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The IUPAC name of 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine (CID 123443142) is 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine.
What is the SMILES notation for 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The canonical SMILES for 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine is CC1CN=C(CCN)C1N.
What is the InChIKey of 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
The InChIKey is ISNCSJKXJIGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-4-10-6(2-3-8)7(5)9/h5,7H,2-4,8-9H2,1H3.
What are the key properties of 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine?
5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine has a molecular weight of 141.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-amine is sourced from PubChem (CID 123443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).