(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine

C12H22N2 — CID 103353273

IUPAC(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
SMILESC#CC(C)N1CCC(CC)CC1CN
InChIInChI=1S/C12H22N2/c1-4-10(3)14-7-6-11(5-2)8-12(14)9-13/h1,10-12H,5-9,13H2,2-3H3
InChIKeyXYOPHHGOLXOXHD-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.46
Rot. Bonds3

About (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine

(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine (PubChem CID 103353273) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
PubChem CID103353273
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
SMILESC#CC(C)N1CCC(CC)CC1CN
InChIInChI=1S/C12H22N2/c1-4-10(3)14-7-6-11(5-2)8-12(14)9-13/h1,10-12H,5-9,13H2,2-3H3
InChIKeyXYOPHHGOLXOXHD-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
CID 103353322
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
CID 103352994
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
CID 103353189
[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
CID 103351790

Frequently Asked Questions

What is the IUPAC name of (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine?
The IUPAC name of (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine (CID 103353273) is (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine is C#CC(C)N1CCC(CC)CC1CN.
What is the InChIKey of (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine?
The InChIKey is XYOPHHGOLXOXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-10(3)14-7-6-11(5-2)8-12(14)9-13/h1,10-12H,5-9,13H2,2-3H3.
What are the key properties of (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine?
(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine is sourced from PubChem (CID 103353273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).