N-benzyl-2-methylbut-3-yn-2-amine

C12H15N — CID 11819500

IUPACN-benzyl-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1ccccc1
InChIInChI=1S/C12H15N/c1-4-12(2,3)13-10-11-8-6-5-7-9-11/h1,5-9,13H,10H2,2-3H3
InChIKeyUOFIDVPMTSDCIZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.19
Rot. Bonds3

About N-benzyl-2-methylbut-3-yn-2-amine

N-benzyl-2-methylbut-3-yn-2-amine (PubChem CID 11819500) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-benzyl-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-benzyl-2-methylbut-3-yn-2-amine
PubChem CID11819500
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-benzyl-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1ccccc1
InChIInChI=1S/C12H15N/c1-4-12(2,3)13-10-11-8-6-5-7-9-11/h1,5-9,13H,10H2,2-3H3
InChIKeyUOFIDVPMTSDCIZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylbut-3-yn-2-amine?
The IUPAC name of N-benzyl-2-methylbut-3-yn-2-amine (CID 11819500) is N-benzyl-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-benzyl-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-benzyl-2-methylbut-3-yn-2-amine is C#CC(C)(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylbut-3-yn-2-amine?
The InChIKey is UOFIDVPMTSDCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-12(2,3)13-10-11-8-6-5-7-9-11/h1,5-9,13H,10H2,2-3H3.
What are the key properties of N-benzyl-2-methylbut-3-yn-2-amine?
N-benzyl-2-methylbut-3-yn-2-amine has a molecular weight of 173.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 11819500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).