1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine

C15H22N2 — CID 114190337

IUPAC1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine
SMILESCCc1cccnc1C(N)CC#CC(C)(C)C
InChIInChI=1S/C15H22N2/c1-5-12-8-7-11-17-14(12)13(16)9-6-10-15(2,3)4/h7-8,11,13H,5,9,16H2,1-4H3
InChIKeyKLUGGMAIWIOQRI-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine

1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine (PubChem CID 114190337) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine
PubChem CID114190337
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine
SMILESCCc1cccnc1C(N)CC#CC(C)(C)C
InChIInChI=1S/C15H22N2/c1-5-12-8-7-11-17-14(12)13(16)9-6-10-15(2,3)4/h7-8,11,13H,5,9,16H2,1-4H3
InChIKeyKLUGGMAIWIOQRI-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.08
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

2-ethoxy-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82730504
1-(3-ethyl-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 82729615
1-(3-ethyl-2-pyridinyl)-3-methylbut-3-en-1-amine
CID 82730508
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82729735
1-(3-ethyl-2-pyridinyl)-3-methylbut-2-en-1-amine
CID 82731279
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-amine
CID 107896820
1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
CID 82729620
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
CID 104804228
1-(3-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-1-amine
CID 82730277

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine (CID 114190337) is 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine is CCc1cccnc1C(N)CC#CC(C)(C)C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine?
The InChIKey is KLUGGMAIWIOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-12-8-7-11-17-14(12)13(16)9-6-10-15(2,3)4/h7-8,11,13H,5,9,16H2,1-4H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine?
1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine is sourced from PubChem (CID 114190337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).