5-tert-butyl-3H-pyrrol-2-amine

C8H14N2 — CID 58468594

IUPAC5-tert-butyl-3H-pyrrol-2-amine
SMILESCC(C)(C)C1=CCC(N)=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-4-5-7(9)10-6/h4H,5H2,1-3H3,(H2,9,10)
InChIKeyPAJRJXPTOBXDSU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.68
Rot. Bonds

About 5-tert-butyl-3H-pyrrol-2-amine

5-tert-butyl-3H-pyrrol-2-amine (PubChem CID 58468594) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-tert-butyl-3H-pyrrol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-3H-pyrrol-2-amine
PubChem CID58468594
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-tert-butyl-3H-pyrrol-2-amine
SMILESCC(C)(C)C1=CCC(N)=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-4-5-7(9)10-6/h4H,5H2,1-3H3,(H2,9,10)
InChIKeyPAJRJXPTOBXDSU-UHFFFAOYSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3H-pyrrol-2-amine
CID 23595915
5-(2,2-dimethylpropyl)-3H-pyrrol-2-amine
CID 58530774
N'-[(Z)-hex-3-en-1-yn-3-yl]propanimidamide
CID 122678285
N'-pent-2-en-2-ylethanimidamide
CID 123240673
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
N'-[(E)-2,2-dimethylhex-3-en-3-yl]butanimidamide
CID 138719539
N'-[(Z)-5,5-dimethylhex-2-en-3-yl]butanimidamide
CID 142399977
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 147709094
3-amino-N',4,4-trimethylpent-2-enimidamide
CID 163794337
N'-[(Z)-pent-2-en-2-yl]ethanimidamide
CID 164000424

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-pyrrol-2-amine?
The IUPAC name of 5-tert-butyl-3H-pyrrol-2-amine (CID 58468594) is 5-tert-butyl-3H-pyrrol-2-amine.
What is the SMILES notation for 5-tert-butyl-3H-pyrrol-2-amine?
The canonical SMILES for 5-tert-butyl-3H-pyrrol-2-amine is CC(C)(C)C1=CCC(N)=N1.
What is the InChIKey of 5-tert-butyl-3H-pyrrol-2-amine?
The InChIKey is PAJRJXPTOBXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)6-4-5-7(9)10-6/h4H,5H2,1-3H3,(H2,9,10).
What are the key properties of 5-tert-butyl-3H-pyrrol-2-amine?
5-tert-butyl-3H-pyrrol-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-pyrrol-2-amine is sourced from PubChem (CID 58468594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).