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

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
2,4-Dimethylpyridine
CID 7936
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967

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).