2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine

C13H18N2 — CID 10750649

IUPAC2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine
SMILESCC1(C)CC(N)=NC1Cc1ccccc1
InChIInChI=1S/C13H18N2/c1-13(2)9-12(14)15-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,14,15)
InChIKeyNELNATVAZFBMQO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.38
Rot. Bonds2

About 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine

2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine (PubChem CID 10750649) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine
PubChem CID10750649
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine
SMILESCC1(C)CC(N)=NC1Cc1ccccc1
InChIInChI=1S/C13H18N2/c1-13(2)9-12(14)15-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,14,15)
InChIKeyNELNATVAZFBMQO-UHFFFAOYSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The IUPAC name of 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine (CID 10750649) is 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine is CC1(C)CC(N)=NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine?
The InChIKey is NELNATVAZFBMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2)9-12(14)15-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine?
2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 10750649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).