N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine

C12H20N2 — CID 82491124

IUPACN-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(CCNC2CC2)c(C)n1C
InChIInChI=1S/C12H20N2/c1-9-8-11(10(2)14(9)3)6-7-13-12-4-5-12/h8,12-13H,4-7H2,1-3H3
InChIKeyZLFADZYKKOSRHW-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine

N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine (PubChem CID 82491124) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
PubChem CID82491124
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(CCNC2CC2)c(C)n1C
InChIInChI=1S/C12H20N2/c1-9-8-11(10(2)14(9)3)6-7-13-12-4-5-12/h8,12-13H,4-7H2,1-3H3
InChIKeyZLFADZYKKOSRHW-UHFFFAOYSA-N
XLogP1.94
TPSA16.96 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine (CID 82491124) is N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine is Cc1cc(CCNC2CC2)c(C)n1C.
What is the InChIKey of N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The InChIKey is ZLFADZYKKOSRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-8-11(10(2)14(9)3)6-7-13-12-4-5-12/h8,12-13H,4-7H2,1-3H3.
What are the key properties of N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine?
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine has a molecular weight of 192.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82491124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).