N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine

C11H14N2 — CID 114498007

IUPACN-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine
SMILESCCNCC#Cc1ccnc(C)c1
InChIInChI=1S/C11H14N2/c1-3-12-7-4-5-11-6-8-13-10(2)9-11/h6,8-9,12H,3,7H2,1-2H3
InChIKeyGYSKWYBUUDMGIO-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.35
Rot. Bonds2

About N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine

N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine (PubChem CID 114498007) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine
PubChem CID114498007
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine
SMILESCCNCC#Cc1ccnc(C)c1
InChIInChI=1S/C11H14N2/c1-3-12-7-4-5-11-6-8-13-10(2)9-11/h6,8-9,12H,3,7H2,1-2H3
InChIKeyGYSKWYBUUDMGIO-UHFFFAOYSA-N
XLogP1.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.35
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-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine (CID 114498007) is N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine is CCNCC#Cc1ccnc(C)c1.
What is the InChIKey of N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine?
The InChIKey is GYSKWYBUUDMGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-12-7-4-5-11-6-8-13-10(2)9-11/h6,8-9,12H,3,7H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine?
N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-4-pyridinyl)prop-2-yn-1-amine is sourced from PubChem (CID 114498007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).