N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine

C11H17N3 — CID 57229215

IUPACN,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine
SMILESCN(C)c1cc(C2C=CCCN2)c[nH]1
InChIInChI=1S/C11H17N3/c1-14(2)11-7-9(8-13-11)10-5-3-4-6-12-10/h3,5,7-8,10,12-13H,4,6H2,1-2H3
InChIKeyOXQZWCVVUGUDRO-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.67
Rot. Bonds2

About N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine

N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine (PubChem CID 57229215) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine
PubChem CID57229215
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine
SMILESCN(C)c1cc(C2C=CCCN2)c[nH]1
InChIInChI=1S/C11H17N3/c1-14(2)11-7-9(8-13-11)10-5-3-4-6-12-10/h3,5,7-8,10,12-13H,4,6H2,1-2H3
InChIKeyOXQZWCVVUGUDRO-UHFFFAOYSA-N
XLogP1.67
TPSA31.06 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine?
The IUPAC name of N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine (CID 57229215) is N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine is CN(C)c1cc(C2C=CCCN2)c[nH]1.
What is the InChIKey of N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine?
The InChIKey is OXQZWCVVUGUDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14(2)11-7-9(8-13-11)10-5-3-4-6-12-10/h3,5,7-8,10,12-13H,4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine?
N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-6-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 57229215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).