(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine

C10H12N2 — CID 74890287

IUPAC(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
SMILESC#Cc1ccnc([C@@H](C)NC)c1
InChIInChI=1S/C10H12N2/c1-4-9-5-6-12-10(7-9)8(2)11-3/h1,5-8,11H,2-3H3/t8-/m1/s1
InChIKeyLXBHFKNFQNWPRO-MRVPVSSYSA-N
MW160.22 g/mol
LogP1.34
Rot. Bonds2

About (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine

(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine (PubChem CID 74890287) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
PubChem CID74890287
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
SMILESC#Cc1ccnc([C@@H](C)NC)c1
InChIInChI=1S/C10H12N2/c1-4-9-5-6-12-10(7-9)8(2)11-3/h1,5-8,11H,2-3H3/t8-/m1/s1
InChIKeyLXBHFKNFQNWPRO-MRVPVSSYSA-N
XLogP1.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.34
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

(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
CID 74891601
4-ethynyl-2-methylsulfonylpyridine
CID 23436956
amino-[(4-ethynyl-2-pyridinyl)amino]methanol
CID 123581046
2-(1-chloroethyl)pyridine-4-carbonitrile
CID 72583051
(1R,2R)-1,2-bis(4-ethynylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838591
2-methyl-N-[1-(4-methyl-2-pyridinyl)ethyl]propan-2-amine
CID 130709591
4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551
1-[2-(azetidin-1-yl)-4-pyridinyl]-N-methylethanamine
CID 130547348
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine
CID 163278429

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine (CID 74890287) is (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine is C#Cc1ccnc([C@@H](C)NC)c1.
What is the InChIKey of (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is LXBHFKNFQNWPRO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-9-5-6-12-10(7-9)8(2)11-3/h1,5-8,11H,2-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine?
(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 160.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 74890287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).