(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine

C9H10N2 — CID 74788000

IUPAC(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
SMILESC#Cc1cnccc1[C@H](C)N
InChIInChI=1S/C9H10N2/c1-3-8-6-11-5-4-9(8)7(2)10/h1,4-7H,10H2,2H3/t7-/m0/s1
InChIKeySRCSLNGRFLVQFU-ZETCQYMHSA-N
MW146.19 g/mol
LogP1.08
Rot. Bonds1

About (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine

(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine (PubChem CID 74788000) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
PubChem CID74788000
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
SMILESC#Cc1cnccc1[C@H](C)N
InChIInChI=1S/C9H10N2/c1-3-8-6-11-5-4-9(8)7(2)10/h1,4-7H,10H2,2H3/t7-/m0/s1
InChIKeySRCSLNGRFLVQFU-ZETCQYMHSA-N
XLogP1.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-ethynyl-4-pyridinyl)ethane-1,2-diamine
CID 74891556
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
4-propan-2-yl-3-prop-1-ynylpyridine
CID 163224364
1-(2-ethynyl-3-pyridinyl)ethanamine
CID 74788747
4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 91089599
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
4-[(1R)-1-aminobutyl]pyridine-3-carbonitrile
CID 55262869
1-(8-chloroisoquinolin-5-yl)ethanamine
CID 82575686
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine (CID 74788000) is (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine is C#Cc1cnccc1[C@H](C)N.
What is the InChIKey of (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine?
The InChIKey is SRCSLNGRFLVQFU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-8-6-11-5-4-9(8)7(2)10/h1,4-7H,10H2,2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine?
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine has a molecular weight of 146.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethynyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 74788000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).