1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine

C12H15BrN2 — CID 104807472

IUPAC1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ncccc1Br
InChIInChI=1S/C12H15BrN2/c1-3-4-5-8-11(14-2)12-10(13)7-6-9-15-12/h6-7,9,11,14H,5,8H2,1-2H3
InChIKeyYZQIUAVMOYKYCR-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine

1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine (PubChem CID 104807472) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
PubChem CID104807472
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ncccc1Br
InChIInChI=1S/C12H15BrN2/c1-3-4-5-8-11(14-2)12-10(13)7-6-9-15-12/h6-7,9,11,14H,5,8H2,1-2H3
InChIKeyYZQIUAVMOYKYCR-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.91
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-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
CID 62312186
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
N-methyl-1-(2-methyl-4-pyridinyl)hex-4-yn-1-amine
CID 106755836
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
CID 104804228
N-methyl-1-(4-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 114878134
[1-(3-bromo-2-pyridinyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105268027
1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
CID 105268068

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine (CID 104807472) is 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine is CC#CCCC(NC)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine?
The InChIKey is YZQIUAVMOYKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-4-5-8-11(14-2)12-10(13)7-6-9-15-12/h6-7,9,11,14H,5,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine?
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine has a molecular weight of 267.17 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine is sourced from PubChem (CID 104807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).