1-ethyl-N-ethynyl-N-methylpiperidin-4-amine

C10H18N2 — CID 174254399

IUPAC1-ethyl-N-ethynyl-N-methylpiperidin-4-amine
SMILESC#CN(C)C1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-4-11(3)10-6-8-12(5-2)9-7-10/h1,10H,5-9H2,2-3H3
InChIKeyPMYGMZLTTSEZNQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.99
Rot. Bonds2

About 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine

1-ethyl-N-ethynyl-N-methylpiperidin-4-amine (PubChem CID 174254399) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-ethynyl-N-methylpiperidin-4-amine
PubChem CID174254399
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-ethyl-N-ethynyl-N-methylpiperidin-4-amine
SMILESC#CN(C)C1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-4-11(3)10-6-8-12(5-2)9-7-10/h1,10H,5-9H2,2-3H3
InChIKeyPMYGMZLTTSEZNQ-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine
CID 157328296
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
N-[(1-ethylpiperidin-4-yl)methyl]prop-2-yn-1-amine
CID 62141446
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
ethane;1-ethyl-4-methylpiperidine
CID 143737046

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine (CID 174254399) is 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine is C#CN(C)C1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine?
The InChIKey is PMYGMZLTTSEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-11(3)10-6-8-12(5-2)9-7-10/h1,10H,5-9H2,2-3H3.
What are the key properties of 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine?
1-ethyl-N-ethynyl-N-methylpiperidin-4-amine has a molecular weight of 166.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-ethynyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 174254399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).