1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine

C15H22N2 — CID 104807424

IUPAC1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1ncc(C)cc1C
InChIInChI=1S/C15H22N2/c1-5-7-8-9-14(16-6-2)15-13(4)10-12(3)11-17-15/h10-11,14,16H,6,8-9H2,1-4H3
InChIKeyZFFJOMRIPMPCPL-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds5

About 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine

1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine (PubChem CID 104807424) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
PubChem CID104807424
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1ncc(C)cc1C
InChIInChI=1S/C15H22N2/c1-5-7-8-9-14(16-6-2)15-13(4)10-12(3)11-17-15/h10-11,14,16H,6,8-9H2,1-4H3
InChIKeyZFFJOMRIPMPCPL-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
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-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
CID 105181533
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089
2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
CID 102619289
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
CID 105181467
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
CID 105266423
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine (CID 104807424) is 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine is CC#CCCC(NCC)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine?
The InChIKey is ZFFJOMRIPMPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-7-8-9-14(16-6-2)15-13(4)10-12(3)11-17-15/h10-11,14,16H,6,8-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine?
1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine is sourced from PubChem (CID 104807424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).