N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C17H29N3 — CID 79090823

IUPACN-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCc1ccc(C)n1NC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C17H29N3/c1-12(2)19-10-15-6-5-7-16(11-19)17(15)18-20-13(3)8-9-14(20)4/h8-9,12,15-18H,5-7,10-11H2,1-4H3
InChIKeyNVFRSGPFOSFXGA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.16
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 79090823) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID79090823
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCc1ccc(C)n1NC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C17H29N3/c1-12(2)19-10-15-6-5-7-16(11-19)17(15)18-20-13(3)8-9-14(20)4/h8-9,12,15-18H,5-7,10-11H2,1-4H3
InChIKeyNVFRSGPFOSFXGA-UHFFFAOYSA-N
XLogP3.16
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 79090823) is N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is Cc1ccc(C)n1NC1C2CCCC1CN(C(C)C)C2.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is NVFRSGPFOSFXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)19-10-15-6-5-7-16(11-19)17(15)18-20-13(3)8-9-14(20)4/h8-9,12,15-18H,5-7,10-11H2,1-4H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 275.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 79090823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).