4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine

C11H17N3 — CID 57090566

IUPAC4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine
SMILESCCN1CC=C(c2c[nH]c(N)c2)CC1
InChIInChI=1S/C11H17N3/c1-2-14-5-3-9(4-6-14)10-7-11(12)13-8-10/h3,7-8,13H,2,4-6,12H2,1H3
InChIKeyJWBRVNKTMWVYJP-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.71
Rot. Bonds2

About 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine

4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine (PubChem CID 57090566) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine
PubChem CID57090566
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine
SMILESCCN1CC=C(c2c[nH]c(N)c2)CC1
InChIInChI=1S/C11H17N3/c1-2-14-5-3-9(4-6-14)10-7-11(12)13-8-10/h3,7-8,13H,2,4-6,12H2,1H3
InChIKeyJWBRVNKTMWVYJP-UHFFFAOYSA-N
XLogP1.71
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine?
The IUPAC name of 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine (CID 57090566) is 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine?
The canonical SMILES for 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine is CCN1CC=C(c2c[nH]c(N)c2)CC1.
What is the InChIKey of 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine?
The InChIKey is JWBRVNKTMWVYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-5-3-9(4-6-14)10-7-11(12)13-8-10/h3,7-8,13H,2,4-6,12H2,1H3.
What are the key properties of 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine?
4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 57090566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).