N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine

C12H16N2O — CID 114497986

IUPACN-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine
SMILESCNCC#Cc1cncc(OC(C)C)c1
InChIInChI=1S/C12H16N2O/c1-10(2)15-12-7-11(8-14-9-12)5-4-6-13-3/h7-10,13H,6H2,1-3H3
InChIKeyRXSJOVPPTKWNRO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine

N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine (PubChem CID 114497986) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine
PubChem CID114497986
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine
SMILESCNCC#Cc1cncc(OC(C)C)c1
InChIInChI=1S/C12H16N2O/c1-10(2)15-12-7-11(8-14-9-12)5-4-6-13-3/h7-10,13H,6H2,1-3H3
InChIKeyRXSJOVPPTKWNRO-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine 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

5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
CID 114497950
3-(4-chlorobut-1-ynyl)-5-pentan-2-yloxypyridine
CID 107885395
3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348
N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine
CID 114497839
N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
CID 62340189
3-(3-fluoro-5-propan-2-yloxyphenyl)prop-2-yn-1-ol
CID 81325814
N-methyl-3-quinolin-3-ylprop-2-yn-1-amine
CID 114497793
N-aminosulfanyl-N-(5-propan-2-yloxy-3-pyridinyl)hydroxylamine
CID 146416991
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
methyl 5-[4-(methylamino)but-1-ynyl]pyridine-3-carboxylate
CID 170464733

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine (CID 114497986) is N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine is CNCC#Cc1cncc(OC(C)C)c1.
What is the InChIKey of N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine?
The InChIKey is RXSJOVPPTKWNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(2)15-12-7-11(8-14-9-12)5-4-6-13-3/h7-10,13H,6H2,1-3H3.
What are the key properties of N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine?
N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine has a molecular weight of 204.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-propan-2-yloxy-3-pyridinyl)prop-2-yn-1-amine is sourced from PubChem (CID 114497986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).