N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine

C13H24N2 — CID 115901593

IUPACN-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
SMILESCC#CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H24N2/c1-4-5-8-14-13-6-9-15(10-7-13)11-12(2)3/h12-14H,6-11H2,1-3H3
InChIKeyGDIHDMRLJGLOGM-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds4

About N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine

N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 115901593) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
PubChem CID115901593
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
SMILESCC#CCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C13H24N2/c1-4-5-8-14-13-6-9-15(10-7-13)11-12(2)3/h12-14H,6-11H2,1-3H3
InChIKeyGDIHDMRLJGLOGM-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
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-1-prop-2-ynylpiperidin-4-amine
CID 115896868
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine
CID 115896869
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
CID 115866481
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
1-but-2-ynyl-4-(2-methylpropyl)piperazine
CID 167156529

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine (CID 115901593) is N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine is CC#CCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is GDIHDMRLJGLOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-8-14-13-6-9-15(10-7-13)11-12(2)3/h12-14H,6-11H2,1-3H3.
What are the key properties of N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine?
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 115901593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).