3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine

C14H26N2 — CID 66413834

IUPAC3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccn(CC)c1
InChIInChI=1S/C14H26N2/c1-5-14(6-2)12(4)15-10-13-8-9-16(7-3)11-13/h8-9,11-12,14-15H,5-7,10H2,1-4H3
InChIKeyQEODDKOWYROASP-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.42
Rot. Bonds7

About 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine

3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine (PubChem CID 66413834) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
PubChem CID66413834
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccn(CC)c1
InChIInChI=1S/C14H26N2/c1-5-14(6-2)12(4)15-10-13-8-9-16(7-3)11-13/h8-9,11-12,14-15H,5-7,10H2,1-4H3
InChIKeyQEODDKOWYROASP-UHFFFAOYSA-N
XLogP3.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351026
N-[(1-ethylpyrrol-3-yl)methyl]-1-methoxybutan-2-amine
CID 66416176
N-[(1-ethylpyrrol-3-yl)methyl]heptan-2-amine
CID 66398852
3-[(1-ethylpyrrol-3-yl)methylamino]pentanenitrile
CID 66416364
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-3-methylbutanoate
CID 66398421
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
N-[(1-ethylpyrrol-3-yl)methyl]pyrrol-1-amine
CID 79091051

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine (CID 66413834) is 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1ccn(CC)c1.
What is the InChIKey of 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine?
The InChIKey is QEODDKOWYROASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-14(6-2)12(4)15-10-13-8-9-16(7-3)11-13/h8-9,11-12,14-15H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine?
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 66413834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).