N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine

C11H14N2 — CID 130870041

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cnc(C)cc1C
InChIInChI=1S/C11H14N2/c1-4-5-12-7-11-8-13-10(3)6-9(11)2/h1,6,8,12H,5,7H2,2-3H3
InChIKeyZFIGMHMINZXWMZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.42
Rot. Bonds3

About N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine

N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine (PubChem CID 130870041) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
PubChem CID130870041
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1cnc(C)cc1C
InChIInChI=1S/C11H14N2/c1-4-5-12-7-11-8-13-10(3)6-9(11)2/h1,6,8,12H,5,7H2,2-3H3
InChIKeyZFIGMHMINZXWMZ-UHFFFAOYSA-N
XLogP1.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.42
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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Related Compounds

N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
CID 130854459
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
CID 130944215
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
CID 155977820
5-ethynyl-2,4-dimethylpyridine
CID 58117489
2-(4,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 142686541
N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine
CID 146046076
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
(4-ethynyl-6-methyl-3-pyridinyl)methanamine
CID 74888678
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine (CID 130870041) is N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine is C#CCNCc1cnc(C)cc1C.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine?
The InChIKey is ZFIGMHMINZXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-5-12-7-11-8-13-10(3)6-9(11)2/h1,6,8,12H,5,7H2,2-3H3.
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine?
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 130870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).