N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine

C15H26FN3 — CID 166838370

IUPACN-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
SMILESCC(F)CN(C)CCCCC1=NC2=C(CCCN2)C1
InChIInChI=1S/C15H26FN3/c1-12(16)11-19(2)9-4-3-7-14-10-13-6-5-8-17-15(13)18-14/h12,17H,3-11H2,1-2H3
InChIKeyNZMTYNROWMYJBE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.89
Rot. Bonds7

About N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine

N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine (PubChem CID 166838370) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
PubChem CID166838370
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
SMILESCC(F)CN(C)CCCCC1=NC2=C(CCCN2)C1
InChIInChI=1S/C15H26FN3/c1-12(16)11-19(2)9-4-3-7-14-10-13-6-5-8-17-15(13)18-14/h12,17H,3-11H2,1-2H3
InChIKeyNZMTYNROWMYJBE-UHFFFAOYSA-N
XLogP2.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The IUPAC name of N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine (CID 166838370) is N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The canonical SMILES for N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine is CC(F)CN(C)CCCCC1=NC2=C(CCCN2)C1.
What is the InChIKey of N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The InChIKey is NZMTYNROWMYJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-12(16)11-19(2)9-4-3-7-14-10-13-6-5-8-17-15(13)18-14/h12,17H,3-11H2,1-2H3.
What are the key properties of N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-N-methyl-4-(4,5,6,7-tetrahydro-3H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 166838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).