1-ethyl-N-pentylpyrrol-3-amine

C11H20N2 — CID 172688744

IUPAC1-ethyl-N-pentylpyrrol-3-amine
SMILESCCCCCNc1ccn(CC)c1
InChIInChI=1S/C11H20N2/c1-3-5-6-8-12-11-7-9-13(4-2)10-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyBJRRBUOCPONDFW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.11
Rot. Bonds6

About 1-ethyl-N-pentylpyrrol-3-amine

1-ethyl-N-pentylpyrrol-3-amine (PubChem CID 172688744) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethyl-N-pentylpyrrol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-pentylpyrrol-3-amine
PubChem CID172688744
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-ethyl-N-pentylpyrrol-3-amine
SMILESCCCCCNc1ccn(CC)c1
InChIInChI=1S/C11H20N2/c1-3-5-6-8-12-11-7-9-13(4-2)10-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyBJRRBUOCPONDFW-UHFFFAOYSA-N
XLogP3.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-dodecyl-1-ethylpyrrole
CID 66960014
1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788
5-(heptylamino)-1-methylpyridin-2-one
CID 60930783
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N-nonadecylaniline
CID 54509054
N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
CID 66398852
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
N-heptylaniline;hydrate
CID 174886464
4-(decylamino)benzonitrile
CID 23349332
N-heptyl-3,4-dimethylaniline
CID 43129292
methanesulfonic acid;1-pentyl-3-propylpyrrole
CID 175874652

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pentylpyrrol-3-amine?
The IUPAC name of 1-ethyl-N-pentylpyrrol-3-amine (CID 172688744) is 1-ethyl-N-pentylpyrrol-3-amine.
What is the SMILES notation for 1-ethyl-N-pentylpyrrol-3-amine?
The canonical SMILES for 1-ethyl-N-pentylpyrrol-3-amine is CCCCCNc1ccn(CC)c1.
What is the InChIKey of 1-ethyl-N-pentylpyrrol-3-amine?
The InChIKey is BJRRBUOCPONDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-8-12-11-7-9-13(4-2)10-11/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 1-ethyl-N-pentylpyrrol-3-amine?
1-ethyl-N-pentylpyrrol-3-amine has a molecular weight of 180.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pentylpyrrol-3-amine is sourced from PubChem (CID 172688744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).