N-but-2-ynyl-N-methylpiperidin-3-amine

C10H18N2 — CID 63643559

IUPACN-but-2-ynyl-N-methylpiperidin-3-amine
SMILESCC#CCN(C)C1CCCNC1
InChIInChI=1S/C10H18N2/c1-3-4-8-12(2)10-6-5-7-11-9-10/h10-11H,5-9H2,1-2H3
InChIKeyITZDLLHNKTWVAV-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds2

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

N-but-2-ynyl-N-methylpiperidin-3-amine (PubChem CID 63643559) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-but-2-ynyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-but-2-ynyl-N-methylpiperidin-3-amine
PubChem CID63643559
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-but-2-ynyl-N-methylpiperidin-3-amine
SMILESCC#CCN(C)C1CCCNC1
InChIInChI=1S/C10H18N2/c1-3-4-8-12(2)10-6-5-7-11-9-10/h10-11H,5-9H2,1-2H3
InChIKeyITZDLLHNKTWVAV-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-N-methylpiperidin-3-amine 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

N-but-2-ynyl-N-ethylpiperidin-3-amine
CID 63636615
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-amine
CID 131134698
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
N'-(azepan-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63727042
N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
methyl(piperidin-3-yl)cyanamide
CID 105428076
(3R)-N-methyl-N-(oxan-4-ylmethyl)piperidin-3-amine
CID 86323316
4-N-but-2-ynyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111232
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-methylpiperidin-3-amine?
The IUPAC name of N-but-2-ynyl-N-methylpiperidin-3-amine (CID 63643559) is N-but-2-ynyl-N-methylpiperidin-3-amine.
What is the SMILES notation for N-but-2-ynyl-N-methylpiperidin-3-amine?
The canonical SMILES for N-but-2-ynyl-N-methylpiperidin-3-amine is CC#CCN(C)C1CCCNC1.
What is the InChIKey of N-but-2-ynyl-N-methylpiperidin-3-amine?
The InChIKey is ITZDLLHNKTWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-8-12(2)10-6-5-7-11-9-10/h10-11H,5-9H2,1-2H3.
What are the key properties of N-but-2-ynyl-N-methylpiperidin-3-amine?
N-but-2-ynyl-N-methylpiperidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 2 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-methylpiperidin-3-amine is sourced from PubChem (CID 63643559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).