N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine

C14H26N2 — CID 106223621

IUPACN-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(NCC)CC1C
InChIInChI=1S/C14H26N2/c1-5-8-14(6-2)16-10-9-13(15-7-3)11-12(16)4/h2,12-15H,5,7-11H2,1,3-4H3
InChIKeyLOIBULIMPQUXIG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds5

About N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine

N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine (PubChem CID 106223621) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
PubChem CID106223621
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine
SMILESC#CC(CCC)N1CCC(NCC)CC1C
InChIInChI=1S/C14H26N2/c1-5-8-14(6-2)16-10-9-13(15-7-3)11-12(16)4/h2,12-15H,5,7-11H2,1,3-4H3
InChIKeyLOIBULIMPQUXIG-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine (CID 106223621) is N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine is C#CC(CCC)N1CCC(NCC)CC1C.
What is the InChIKey of N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine?
The InChIKey is LOIBULIMPQUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-8-14(6-2)16-10-9-13(15-7-3)11-12(16)4/h2,12-15H,5,7-11H2,1,3-4H3.
What are the key properties of N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine?
N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hex-1-yn-3-yl-2-methylpiperidin-4-amine is sourced from PubChem (CID 106223621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).