N-but-2-ynyl-N-ethylpiperidin-3-amine

C11H20N2 — CID 63636615

IUPACN-but-2-ynyl-N-ethylpiperidin-3-amine
SMILESCC#CCN(CC)C1CCCNC1
InChIInChI=1S/C11H20N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h11-12H,4,6-10H2,1-2H3
InChIKeyQNSNREMHLPHJOV-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.08
Rot. Bonds3

About N-but-2-ynyl-N-ethylpiperidin-3-amine

N-but-2-ynyl-N-ethylpiperidin-3-amine (PubChem CID 63636615) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-but-2-ynyl-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-but-2-ynyl-N-ethylpiperidin-3-amine
PubChem CID63636615
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-but-2-ynyl-N-ethylpiperidin-3-amine
SMILESCC#CCN(CC)C1CCCNC1
InChIInChI=1S/C11H20N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h11-12H,4,6-10H2,1-2H3
InChIKeyQNSNREMHLPHJOV-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.08
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

N-but-2-ynyl-N-methylpiperidin-3-amine
CID 63643559
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
CID 114496458
4-N-but-2-ynyl-4-N-ethylcyclohexane-1,4-diamine
CID 79115467
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-ethyl-N-(2-propoxyethyl)piperidin-3-amine
CID 106455012
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-ethylpiperidin-3-amine?
The IUPAC name of N-but-2-ynyl-N-ethylpiperidin-3-amine (CID 63636615) is N-but-2-ynyl-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-but-2-ynyl-N-ethylpiperidin-3-amine?
The canonical SMILES for N-but-2-ynyl-N-ethylpiperidin-3-amine is CC#CCN(CC)C1CCCNC1.
What is the InChIKey of N-but-2-ynyl-N-ethylpiperidin-3-amine?
The InChIKey is QNSNREMHLPHJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-9-13(4-2)11-7-6-8-12-10-11/h11-12H,4,6-10H2,1-2H3.
What are the key properties of N-but-2-ynyl-N-ethylpiperidin-3-amine?
N-but-2-ynyl-N-ethylpiperidin-3-amine has a molecular weight of 180.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63636615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).