N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine

C14H24N2 — CID 82928473

IUPACN-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCC(CC)Cn1cccc1CNC1CC1
InChIInChI=1S/C14H24N2/c1-3-12(4-2)11-16-9-5-6-14(16)10-15-13-7-8-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyXRRQHKUFRJVQHN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.18
Rot. Bonds7

About N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 82928473) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID82928473
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCC(CC)Cn1cccc1CNC1CC1
InChIInChI=1S/C14H24N2/c1-3-12(4-2)11-16-9-5-6-14(16)10-15-13-7-8-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyXRRQHKUFRJVQHN-UHFFFAOYSA-N
XLogP3.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine (CID 82928473) is N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine is CCC(CC)Cn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is XRRQHKUFRJVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-12(4-2)11-16-9-5-6-14(16)10-15-13-7-8-13/h5-6,9,12-13,15H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 220.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82928473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).