(1-ethylpyrrol-3-yl)methanamine;hydrochloride

C7H13ClN2 — CID 86775372

IUPAC(1-ethylpyrrol-3-yl)methanamine;hydrochloride
SMILESCCn1ccc(CN)c1.Cl
InChIInChI=1S/C7H12N2.ClH/c1-2-9-4-3-7(5-8)6-9;/h3-4,6H,2,5,8H2,1H3;1H
InChIKeyWJHCBVQQXKJWOP-UHFFFAOYSA-N
MW160.65 g/mol
LogP1.39
Rot. Bonds2

About (1-ethylpyrrol-3-yl)methanamine;hydrochloride

(1-ethylpyrrol-3-yl)methanamine;hydrochloride (PubChem CID 86775372) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is (1-ethylpyrrol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-ethylpyrrol-3-yl)methanamine;hydrochloride
PubChem CID86775372
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name(1-ethylpyrrol-3-yl)methanamine;hydrochloride
SMILESCCn1ccc(CN)c1.Cl
InChIInChI=1S/C7H12N2.ClH/c1-2-9-4-3-7(5-8)6-9;/h3-4,6H,2,5,8H2,1H3;1H
InChIKeyWJHCBVQQXKJWOP-UHFFFAOYSA-N
XLogP1.39
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrol-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-ethylpyrrol-3-yl)methanamine;hydrochloride (CID 86775372) is (1-ethylpyrrol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-ethylpyrrol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-ethylpyrrol-3-yl)methanamine;hydrochloride is CCn1ccc(CN)c1.Cl.
What is the InChIKey of (1-ethylpyrrol-3-yl)methanamine;hydrochloride?
The InChIKey is WJHCBVQQXKJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c1-2-9-4-3-7(5-8)6-9;/h3-4,6H,2,5,8H2,1H3;1H.
What are the key properties of (1-ethylpyrrol-3-yl)methanamine;hydrochloride?
(1-ethylpyrrol-3-yl)methanamine;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 86775372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).