(1S)-1-pyridin-2-ylethanamine

C7H10N2 — CID 1084917

IUPAC(1S)-1-pyridin-2-ylethanamine
SMILESC[C@H](N)c1ccccn1
InChIInChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1
InChIKeyPDNHLCRMUIGNBV-LURJTMIESA-N
MW122.17 g/mol
LogP1.10
Rot. Bonds1

About (1S)-1-pyridin-2-ylethanamine

(1S)-1-pyridin-2-ylethanamine (PubChem CID 1084917) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (1S)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-2-ylethanamine
PubChem CID1084917
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(1S)-1-pyridin-2-ylethanamine
SMILESC[C@H](N)c1ccccn1
InChIInChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1
InChIKeyPDNHLCRMUIGNBV-LURJTMIESA-N
XLogP1.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-pyridin-2-ylethanamine (CID 1084917) is (1S)-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-pyridin-2-ylethanamine is C[C@H](N)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-ylethanamine?
The InChIKey is PDNHLCRMUIGNBV-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-ylethanamine?
(1S)-1-pyridin-2-ylethanamine has a molecular weight of 122.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 1084917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).