cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine

C12H20N2 — CID 79104428

IUPACcyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
SMILESCC(C)Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C12H20N2/c1-9(2)7-14-6-5-11(8-14)12(13)10-3-4-10/h5-6,8-10,12H,3-4,7,13H2,1-2H3
InChIKeyQSLKEXLMJRPNKL-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.55
Rot. Bonds4

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

cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine (PubChem CID 79104428) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
PubChem CID79104428
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Namecyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
SMILESCC(C)Cn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C12H20N2/c1-9(2)7-14-6-5-11(8-14)12(13)10-3-4-10/h5-6,8-10,12H,3-4,7,13H2,1-2H3
InChIKeyQSLKEXLMJRPNKL-UHFFFAOYSA-N
XLogP2.55
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine (CID 79104428) is cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine is CC(C)Cn1ccc(C(N)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine?
The InChIKey is QSLKEXLMJRPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)7-14-6-5-11(8-14)12(13)10-3-4-10/h5-6,8-10,12H,3-4,7,13H2,1-2H3.
What are the key properties of cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine?
cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).