N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine

C16H29N3O — CID 79109421

IUPACN-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C16H29N3O/c1-3-5-16(17-4-2)15-6-7-19(14-15)9-8-18-10-12-20-13-11-18/h6-7,14,16-17H,3-5,8-13H2,1-2H3
InChIKeySUXRVECKUXFAHV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.27
Rot. Bonds8

About N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine

N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79109421) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79109421
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C16H29N3O/c1-3-5-16(17-4-2)15-6-7-19(14-15)9-8-18-10-12-20-13-11-18/h6-7,14,16-17H,3-5,8-13H2,1-2H3
InChIKeySUXRVECKUXFAHV-UHFFFAOYSA-N
XLogP2.27
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79108467
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099347
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine (CID 79109421) is N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(CCN2CCOCC2)c1.
What is the InChIKey of N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is SUXRVECKUXFAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-16(17-4-2)15-6-7-19(14-15)9-8-18-10-12-20-13-11-18/h6-7,14,16-17H,3-5,8-13H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).