(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine

C10H16N2 — CID 82490438

IUPAC(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CN)c(C)n1C1CC1
InChIInChI=1S/C10H16N2/c1-7-5-9(6-11)8(2)12(7)10-3-4-10/h5,10H,3-4,6,11H2,1-2H3
InChIKeyMEGOBROMTMGWEV-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

About (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine (PubChem CID 82490438) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine
PubChem CID82490438
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CN)c(C)n1C1CC1
InChIInChI=1S/C10H16N2/c1-7-5-9(6-11)8(2)12(7)10-3-4-10/h5,10H,3-4,6,11H2,1-2H3
InChIKeyMEGOBROMTMGWEV-UHFFFAOYSA-N
XLogP1.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine?
The IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine (CID 82490438) is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine is Cc1cc(CN)c(C)n1C1CC1.
What is the InChIKey of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine?
The InChIKey is MEGOBROMTMGWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-5-9(6-11)8(2)12(7)10-3-4-10/h5,10H,3-4,6,11H2,1-2H3.
What are the key properties of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine?
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82490438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).