N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine

C11H16N2 — CID 163383215

IUPACN-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccc(C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-2-12-8-11-6-5-10(7-13-11)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3
InChIKeyAYCFJWWBKBYASH-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.07
Rot. Bonds4

About N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine

N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine (PubChem CID 163383215) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
PubChem CID163383215
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccc(C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-2-12-8-11-6-5-10(7-13-11)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3
InChIKeyAYCFJWWBKBYASH-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine (CID 163383215) is N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine is CCNCc1ccc(C2CC2)cn1.
What is the InChIKey of N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is AYCFJWWBKBYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-12-8-11-6-5-10(7-13-11)9-3-4-9/h5-7,9,12H,2-4,8H2,1H3.
What are the key properties of N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine?
N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 176.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 163383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).