N-benzyl-4-methylpent-2-en-3-amine

C13H19N — CID 118670841

IUPACN-benzyl-4-methylpent-2-en-3-amine
SMILESCC=C(NCc1ccccc1)C(C)C
InChIInChI=1S/C13H19N/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,14H,10H2,1-3H3
InChIKeyILAHCBGEVWTKFP-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-4-methylpent-2-en-3-amine

N-benzyl-4-methylpent-2-en-3-amine (PubChem CID 118670841) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-benzyl-4-methylpent-2-en-3-amine.

Molecular Properties

Compound NameN-benzyl-4-methylpent-2-en-3-amine
PubChem CID118670841
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-benzyl-4-methylpent-2-en-3-amine
SMILESCC=C(NCc1ccccc1)C(C)C
InChIInChI=1S/C13H19N/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,14H,10H2,1-3H3
InChIKeyILAHCBGEVWTKFP-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylpent-2-en-3-amine?
The IUPAC name of N-benzyl-4-methylpent-2-en-3-amine (CID 118670841) is N-benzyl-4-methylpent-2-en-3-amine.
What is the SMILES notation for N-benzyl-4-methylpent-2-en-3-amine?
The canonical SMILES for N-benzyl-4-methylpent-2-en-3-amine is CC=C(NCc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-4-methylpent-2-en-3-amine?
The InChIKey is ILAHCBGEVWTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-13(11(2)3)14-10-12-8-6-5-7-9-12/h4-9,11,14H,10H2,1-3H3.
What are the key properties of N-benzyl-4-methylpent-2-en-3-amine?
N-benzyl-4-methylpent-2-en-3-amine has a molecular weight of 189.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylpent-2-en-3-amine is sourced from PubChem (CID 118670841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).