N-benzyl-N-methylprop-2-en-1-amine

C11H15N — CID 3542547

IUPACN-benzyl-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyDZRKBPWATCKLKY-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.30
Rot. Bonds4

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

N-benzyl-N-methylprop-2-en-1-amine (PubChem CID 3542547) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methylprop-2-en-1-amine
PubChem CID3542547
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-benzyl-N-methylprop-2-en-1-amine
SMILESC=CCN(C)Cc1ccccc1
InChIInChI=1S/C11H15N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyDZRKBPWATCKLKY-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylprop-2-en-1-amine?
The IUPAC name of N-benzyl-N-methylprop-2-en-1-amine (CID 3542547) is N-benzyl-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-methylprop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-methylprop-2-en-1-amine is C=CCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylprop-2-en-1-amine?
The InChIKey is DZRKBPWATCKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3.
What are the key properties of N-benzyl-N-methylprop-2-en-1-amine?
N-benzyl-N-methylprop-2-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.30, 4 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-en-1-amine is sourced from PubChem (CID 3542547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).