[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine

C10H18N2 — CID 82503014

IUPAC[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine
SMILESCC(C)C(C)n1cccc1CN
InChIInChI=1S/C10H18N2/c1-8(2)9(3)12-6-4-5-10(12)7-11/h4-6,8-9H,7,11H2,1-3H3
InChIKeyBHYUFKDAWMUWPB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.16
Rot. Bonds3

About [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine

[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine (PubChem CID 82503014) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine
PubChem CID82503014
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine
SMILESCC(C)C(C)n1cccc1CN
InChIInChI=1S/C10H18N2/c1-8(2)9(3)12-6-4-5-10(12)7-11/h4-6,8-9H,7,11H2,1-3H3
InChIKeyBHYUFKDAWMUWPB-UHFFFAOYSA-N
XLogP2.16
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine (CID 82503014) is [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine is CC(C)C(C)n1cccc1CN.
What is the InChIKey of [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine?
The InChIKey is BHYUFKDAWMUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)9(3)12-6-4-5-10(12)7-11/h4-6,8-9H,7,11H2,1-3H3.
What are the key properties of [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine?
[1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine has a molecular weight of 166.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutan-2-yl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 82503014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).