3-methyl-N-propan-2-yl-2H-pyrrol-5-amine

C8H14N2 — CID 157236857

IUPAC3-methyl-N-propan-2-yl-2H-pyrrol-5-amine
SMILESCC1=CC(NC(C)C)=NC1
InChIInChI=1S/C8H14N2/c1-6(2)10-8-4-7(3)5-9-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyISJHTGFAUAXKLD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds1

About 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine

3-methyl-N-propan-2-yl-2H-pyrrol-5-amine (PubChem CID 157236857) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2H-pyrrol-5-amine
PubChem CID157236857
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-N-propan-2-yl-2H-pyrrol-5-amine
SMILESCC1=CC(NC(C)C)=NC1
InChIInChI=1S/C8H14N2/c1-6(2)10-8-4-7(3)5-9-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyISJHTGFAUAXKLD-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
N,1-ditert-butyl-3-methyl-2H-pyrrol-1-ium-5-amine chloride
CID 10490548
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N'-methyl-N-propan-2-ylprop-2-enimidamide
CID 21720545
2-methyl-N,N'-di(propan-2-yl)prop-2-enimidamide
CID 88832844
N-butyl-2H-pyrrol-5-amine
CID 89628600
N-propan-2-yl-2H-pyrrol-5-amine
CID 89879696
N-tert-butyl-2H-pyrrol-5-amine
CID 90244534
(E)-N-butan-2-yl-N',2-dimethylbut-2-enimidamide
CID 118972865
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
N'-methyl-N-(2-methylbut-2-enyl)propanimidamide
CID 123564371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine (CID 157236857) is 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine is CC1=CC(NC(C)C)=NC1.
What is the InChIKey of 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine?
The InChIKey is ISJHTGFAUAXKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-8-4-7(3)5-9-8/h4,6H,5H2,1-3H3,(H,9,10).
What are the key properties of 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine?
3-methyl-N-propan-2-yl-2H-pyrrol-5-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2H-pyrrol-5-amine is sourced from PubChem (CID 157236857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).