N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine

C12H16N2 — CID 62312186

IUPACN-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ncccc1C
InChIInChI=1S/C12H16N2/c1-4-5-8-11(13-3)12-10(2)7-6-9-14-12/h6-7,9,11,13H,8H2,1-3H3
InChIKeyDUVWDMCWNFAYBI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine

N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine (PubChem CID 62312186) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
PubChem CID62312186
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ncccc1C
InChIInChI=1S/C12H16N2/c1-4-5-8-11(13-3)12-10(2)7-6-9-14-12/h6-7,9,11,13H,8H2,1-3H3
InChIKeyDUVWDMCWNFAYBI-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.06
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

1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
N-methyl-1-(3-methyl-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 62603574
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 63737255
N-methyl-1-(3-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093466
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine (CID 62312186) is N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine is CC#CCC(NC)c1ncccc1C.
What is the InChIKey of N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine?
The InChIKey is DUVWDMCWNFAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-8-11(13-3)12-10(2)7-6-9-14-12/h6-7,9,11,13H,8H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine?
N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine is sourced from PubChem (CID 62312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).