N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine

C13H18N2 — CID 71102164

IUPACN-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine
SMILESCNCCCCC#Cc1ccc(C)cn1
InChIInChI=1S/C13H18N2/c1-12-8-9-13(15-11-12)7-5-3-4-6-10-14-2/h8-9,11,14H,3-4,6,10H2,1-2H3
InChIKeyVEKGNIUPAZTPGM-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine

N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine (PubChem CID 71102164) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine
PubChem CID71102164
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine
SMILESCNCCCCC#Cc1ccc(C)cn1
InChIInChI=1S/C13H18N2/c1-12-8-9-13(15-11-12)7-5-3-4-6-10-14-2/h8-9,11,14H,3-4,6,10H2,1-2H3
InChIKeyVEKGNIUPAZTPGM-UHFFFAOYSA-N
XLogP2.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.13
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-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine?
The IUPAC name of N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine (CID 71102164) is N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine.
What is the SMILES notation for N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine?
The canonical SMILES for N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine is CNCCCCC#Cc1ccc(C)cn1.
What is the InChIKey of N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine?
The InChIKey is VEKGNIUPAZTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-12-8-9-13(15-11-12)7-5-3-4-6-10-14-2/h8-9,11,14H,3-4,6,10H2,1-2H3.
What are the key properties of N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine?
N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methyl-2-pyridinyl)hex-5-yn-1-amine is sourced from PubChem (CID 71102164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).