N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine

C10H20N2 — CID 102343038

IUPACN-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine
SMILESCC1(C)CCC(NC(C)(C)C)=N1
InChIInChI=1S/C10H20N2/c1-9(2,3)11-8-6-7-10(4,5)12-8/h6-7H2,1-5H3,(H,11,12)
InChIKeyGQGURWBRSXEATG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds

About N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine

N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine (PubChem CID 102343038) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine
PubChem CID102343038
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine
SMILESCC1(C)CCC(NC(C)(C)C)=N1
InChIInChI=1S/C10H20N2/c1-9(2,3)11-8-6-7-10(4,5)12-8/h6-7H2,1-5H3,(H,11,12)
InChIKeyGQGURWBRSXEATG-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine?
The IUPAC name of N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine (CID 102343038) is N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine.
What is the SMILES notation for N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine?
The canonical SMILES for N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine is CC1(C)CCC(NC(C)(C)C)=N1.
What is the InChIKey of N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine?
The InChIKey is GQGURWBRSXEATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)11-8-6-7-10(4,5)12-8/h6-7H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine?
N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,5-dimethyl-3,4-dihydropyrrol-2-amine is sourced from PubChem (CID 102343038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).