N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine

C12H16N2 — CID 115699019

IUPACN-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1ccc(C)cn1
InChIInChI=1S/C12H16N2/c1-4-5-11(3)13-9-12-7-6-10(2)8-14-12/h1,6-8,11,13H,5,9H2,2-3H3
InChIKeyXZUQFANBUXOLAP-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds4

About N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine

N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine (PubChem CID 115699019) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
PubChem CID115699019
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1ccc(C)cn1
InChIInChI=1S/C12H16N2/c1-4-5-11(3)13-9-12-7-6-10(2)8-14-12/h1,6-8,11,13H,5,9H2,2-3H3
InChIKeyXZUQFANBUXOLAP-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
CID 81311591
N-ethyl-4-(5-methyl-2-pyridinyl)butan-2-amine
CID 81312035
3-methyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoic acid
CID 81311715
(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 115698944
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 80709978

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine (CID 115699019) is N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine is C#CCC(C)NCc1ccc(C)cn1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine?
The InChIKey is XZUQFANBUXOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-11(3)13-9-12-7-6-10(2)8-14-12/h1,6-8,11,13H,5,9H2,2-3H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine?
N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine is sourced from PubChem (CID 115699019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).