5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine

C10H13N3 — CID 58476592

IUPAC5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine
SMILESCN(C)CC#Cc1cncc(N)c1
InChIInChI=1S/C10H13N3/c1-13(2)5-3-4-9-6-10(11)8-12-7-9/h6-8H,5,11H2,1-2H3
InChIKeyLLNMWCRUJAJGAN-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.58
Rot. Bonds1

About 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine

5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine (PubChem CID 58476592) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine
PubChem CID58476592
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine
SMILESCN(C)CC#Cc1cncc(N)c1
InChIInChI=1S/C10H13N3/c1-13(2)5-3-4-9-6-10(11)8-12-7-9/h6-8H,5,11H2,1-2H3
InChIKeyLLNMWCRUJAJGAN-UHFFFAOYSA-N
XLogP0.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine?
The IUPAC name of 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine (CID 58476592) is 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine?
The canonical SMILES for 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine is CN(C)CC#Cc1cncc(N)c1.
What is the InChIKey of 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine?
The InChIKey is LLNMWCRUJAJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)5-3-4-9-6-10(11)8-12-7-9/h6-8H,5,11H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine?
5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine is sourced from PubChem (CID 58476592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).