N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine

C13H24N2 — CID 166008503

IUPACN-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine
SMILESCC#CC1CCN(CCN(C)CC)CC1
InChIInChI=1S/C13H24N2/c1-4-6-13-7-9-15(10-8-13)12-11-14(3)5-2/h13H,5,7-12H2,1-3H3
InChIKeyULXLJFYMGRJBQM-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.67
Rot. Bonds4

About N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine

N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine (PubChem CID 166008503) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine
PubChem CID166008503
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine
SMILESCC#CC1CCN(CCN(C)CC)CC1
InChIInChI=1S/C13H24N2/c1-4-6-13-7-9-15(10-8-13)12-11-14(3)5-2/h13H,5,7-12H2,1-3H3
InChIKeyULXLJFYMGRJBQM-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[2-(4-prop-1-ynylpiperidin-1-yl)ethyl]piperazine
CID 155583745
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine
CID 156711984
N,2-dimethyl-N-[2-[4-(3-methyloct-1-ynyl)piperidin-1-yl]ethyl]propan-1-amine
CID 166800689
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
1-methyl-4-(4-prop-1-ynylcyclohexyl)piperazine
CID 155218445
4-but-1-ynyl-1-methylpiperidine
CID 122684075
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
CID 156795126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine (CID 166008503) is N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine is CC#CC1CCN(CCN(C)CC)CC1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine?
The InChIKey is ULXLJFYMGRJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-13-7-9-15(10-8-13)12-11-14(3)5-2/h13H,5,7-12H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine?
N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine has a molecular weight of 208.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 166008503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).