N-methyl-4-pyridin-3-ylbut-3-yn-1-amine

C10H12N2 — CID 15860335

IUPACN-methyl-4-pyridin-3-ylbut-3-yn-1-amine
SMILESCNCCC#Cc1cccnc1
InChIInChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3
InChIKeyWBAIXNUCEGCLDC-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.04
Rot. Bonds2

About N-methyl-4-pyridin-3-ylbut-3-yn-1-amine

N-methyl-4-pyridin-3-ylbut-3-yn-1-amine (PubChem CID 15860335) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-methyl-4-pyridin-3-ylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-3-ylbut-3-yn-1-amine
PubChem CID15860335
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-methyl-4-pyridin-3-ylbut-3-yn-1-amine
SMILESCNCCC#Cc1cccnc1
InChIInChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3
InChIKeyWBAIXNUCEGCLDC-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-3-ylbut-3-yn-1-amine?
The IUPAC name of N-methyl-4-pyridin-3-ylbut-3-yn-1-amine (CID 15860335) is N-methyl-4-pyridin-3-ylbut-3-yn-1-amine.
What is the SMILES notation for N-methyl-4-pyridin-3-ylbut-3-yn-1-amine?
The canonical SMILES for N-methyl-4-pyridin-3-ylbut-3-yn-1-amine is CNCCC#Cc1cccnc1.
What is the InChIKey of N-methyl-4-pyridin-3-ylbut-3-yn-1-amine?
The InChIKey is WBAIXNUCEGCLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3.
What are the key properties of N-methyl-4-pyridin-3-ylbut-3-yn-1-amine?
N-methyl-4-pyridin-3-ylbut-3-yn-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-3-ylbut-3-yn-1-amine is sourced from PubChem (CID 15860335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).