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

C14H22N2 — CID 96671961

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(CCNC2CC2)c(C)n1C1CC1
InChIInChI=1S/C14H22N2/c1-10-9-12(7-8-15-13-3-4-13)11(2)16(10)14-5-6-14/h9,13-15H,3-8H2,1-2H3
InChIKeyNPDYYAXCDLKQHA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.73
Rot. Bonds5

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

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine (PubChem CID 96671961) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
PubChem CID96671961
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(CCNC2CC2)c(C)n1C1CC1
InChIInChI=1S/C14H22N2/c1-10-9-12(7-8-15-13-3-4-13)11(2)16(10)14-5-6-14/h9,13-15H,3-8H2,1-2H3
InChIKeyNPDYYAXCDLKQHA-UHFFFAOYSA-N
XLogP2.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine (CID 96671961) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine is Cc1cc(CCNC2CC2)c(C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine?
The InChIKey is NPDYYAXCDLKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-9-12(7-8-15-13-3-4-13)11(2)16(10)14-5-6-14/h9,13-15H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine has a molecular weight of 218.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96671961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).