2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine

C17H23N3 — CID 171818403

IUPAC2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(-n3cccc3)n2)CC1
InChIInChI=1S/C17H23N3/c1-16(2,3)18-13-17(9-10-17)14-7-6-8-15(19-14)20-11-4-5-12-20/h4-8,11-12,18H,9-10,13H2,1-3H3
InChIKeyAPUVJUVVLFPDOO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine

2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 171818403) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine
PubChem CID171818403
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(-n3cccc3)n2)CC1
InChIInChI=1S/C17H23N3/c1-16(2,3)18-13-17(9-10-17)14-7-6-8-15(19-14)20-11-4-5-12-20/h4-8,11-12,18H,9-10,13H2,1-3H3
InChIKeyAPUVJUVVLFPDOO-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine (CID 171818403) is 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine is CC(C)(C)NCC1(c2cccc(-n3cccc3)n2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is APUVJUVVLFPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-16(2,3)18-13-17(9-10-17)14-7-6-8-15(19-14)20-11-4-5-12-20/h4-8,11-12,18H,9-10,13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine?
2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 171818403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).