2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine

C16H26N2 — CID 81027530

IUPAC2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccncc1C1CCCC1CNC(C)(C)C
InChIInChI=1S/C16H26N2/c1-12-8-9-17-11-15(12)14-7-5-6-13(14)10-18-16(2,3)4/h8-9,11,13-14,18H,5-7,10H2,1-4H3
InChIKeyVZUFETGLCWGBSX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.66
Rot. Bonds3

About 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81027530) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81027530
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
SMILESCc1ccncc1C1CCCC1CNC(C)(C)C
InChIInChI=1S/C16H26N2/c1-12-8-9-17-11-15(12)14-7-5-6-13(14)10-18-16(2,3)4/h8-9,11,13-14,18H,5-7,10H2,1-4H3
InChIKeyVZUFETGLCWGBSX-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine (CID 81027530) is 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine is Cc1ccncc1C1CCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is VZUFETGLCWGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-9-17-11-15(12)14-7-5-6-13(14)10-18-16(2,3)4/h8-9,11,13-14,18H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81027530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).