N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine

C13H19N3 — CID 102540216

IUPACN-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
SMILESCCC(C)Nc1ccc(C2=NCCC2)cn1
InChIInChI=1S/C13H19N3/c1-3-10(2)16-13-7-6-11(9-15-13)12-5-4-8-14-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyLZHOCPNCBRFPIV-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.87
Rot. Bonds4

About N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine

N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine (PubChem CID 102540216) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
PubChem CID102540216
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
SMILESCCC(C)Nc1ccc(C2=NCCC2)cn1
InChIInChI=1S/C13H19N3/c1-3-10(2)16-13-7-6-11(9-15-13)12-5-4-8-14-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyLZHOCPNCBRFPIV-UHFFFAOYSA-N
XLogP2.87
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine (CID 102540216) is N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine is CCC(C)Nc1ccc(C2=NCCC2)cn1.
What is the InChIKey of N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The InChIKey is LZHOCPNCBRFPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-10(2)16-13-7-6-11(9-15-13)12-5-4-8-14-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine is sourced from PubChem (CID 102540216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).