[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine

C11H12N2 — CID 122242660

IUPAC[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(C#CC2CC2)c1
InChIInChI=1S/C11H12N2/c12-6-11-5-10(7-13-8-11)4-3-9-1-2-9/h5,7-9H,1-2,6,12H2
InChIKeyRCKJWWFCESPWON-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.30
Rot. Bonds1

About [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine

[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine (PubChem CID 122242660) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
PubChem CID122242660
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
SMILESNCc1cncc(C#CC2CC2)c1
InChIInChI=1S/C11H12N2/c12-6-11-5-10(7-13-8-11)4-3-9-1-2-9/h5,7-9H,1-2,6,12H2
InChIKeyRCKJWWFCESPWON-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-cyclopropylethynyl)phenyl]methanamine
CID 122242647
3-[[5-(2-cyclopropylethynyl)-3-pyridinyl]methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753096
4-(2-cyclopropylethynyl)pyridine
CID 122242573
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
5-(aminomethyl)-N-cyclopropylpyridine-3-carboxamide
CID 84663349
(5-piperidin-1-yl-3-pyridinyl)methanamine;dihydrochloride
CID 121209082
6-(2-cyclopropylethynyl)-1,3-benzothiazol-2-amine
CID 168973866
1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
CID 161210191
[3-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethynyl]phenyl]methanamine
CID 174553057
2,5-bis[2-(4-propylcyclohexyl)ethynyl]pyrimidine
CID 19984733
(5-pyridin-4-yl-3-pyridinyl)methanamine
CID 71301604

Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine (CID 122242660) is [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine is NCc1cncc(C#CC2CC2)c1.
What is the InChIKey of [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
The InChIKey is RCKJWWFCESPWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-6-11-5-10(7-13-8-11)4-3-9-1-2-9/h5,7-9H,1-2,6,12H2.
What are the key properties of [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine?
[5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine has a molecular weight of 172.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopropylethynyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 122242660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).