N-benzyl-N-methylprop-2-yn-1-amine

C11H13N — CID 4688

IUPACN-benzyl-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccccc1
InChIInChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKeyDPWPWRLQFGFJFI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.75
Rot. Bonds3

About N-benzyl-N-methylprop-2-yn-1-amine

N-benzyl-N-methylprop-2-yn-1-amine (PubChem CID 4688) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methylprop-2-yn-1-amine
PubChem CID4688
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC NameN-benzyl-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccccc1
InChIInChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKeyDPWPWRLQFGFJFI-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
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-N-methylprop-2-yn-1-amine?
The IUPAC name of N-benzyl-N-methylprop-2-yn-1-amine (CID 4688) is N-benzyl-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylprop-2-yn-1-amine?
The InChIKey is DPWPWRLQFGFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3.
What are the key properties of N-benzyl-N-methylprop-2-yn-1-amine?
N-benzyl-N-methylprop-2-yn-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 4688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).