N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride

C11H14ClN — CID 23615885

IUPACN-benzyl-N-methylprop-1-yn-1-amine;hydrochloride
SMILESCC#CN(C)Cc1ccccc1.Cl
InChIInChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h4-8H,10H2,1-2H3;1H
InChIKeyFFAURAVXYGCCAB-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.52
Rot. Bonds2

About N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride

N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride (PubChem CID 23615885) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methylprop-1-yn-1-amine;hydrochloride
PubChem CID23615885
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-benzyl-N-methylprop-1-yn-1-amine;hydrochloride
SMILESCC#CN(C)Cc1ccccc1.Cl
InChIInChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h4-8H,10H2,1-2H3;1H
InChIKeyFFAURAVXYGCCAB-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-N-methylpent-3-yn-1-amine
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CID 71592559
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
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CID 91426963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride?
The IUPAC name of N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride (CID 23615885) is N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride.
What is the SMILES notation for N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride?
The canonical SMILES for N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride is CC#CN(C)Cc1ccccc1.Cl.
What is the InChIKey of N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride?
The InChIKey is FFAURAVXYGCCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h4-8H,10H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride?
N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride is sourced from PubChem (CID 23615885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).