N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine

C12H22N2 — CID 114415483

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-10(2)13-11(3)12-6-8-14(4)9-7-12/h1,10-13H,6-9H2,2-4H3
InChIKeyZEOYAEKWPAFJKG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine

N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine (PubChem CID 114415483) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
PubChem CID114415483
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NC(C)C1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-10(2)13-11(3)12-6-8-14(4)9-7-12/h1,10-13H,6-9H2,2-4H3
InChIKeyZEOYAEKWPAFJKG-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
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-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
CID 64604411
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine (CID 114415483) is N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine is C#CC(C)NC(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine?
The InChIKey is ZEOYAEKWPAFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-10(2)13-11(3)12-6-8-14(4)9-7-12/h1,10-13H,6-9H2,2-4H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine?
N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 114415483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).