3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine

C18H33N3O2 — CID 5153130

IUPAC3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C18H33N3O2/c1-2-3-13-22-14-5-7-19-17-18-6-4-8-21(18)10-9-20-11-15-23-16-12-20/h4,6,8,19H,2-3,5,7,9-17H2,1H3
InChIKeyLHRSTNSUPXCQEZ-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.12
Rot. Bonds12

About 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine

3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 5153130) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine
PubChem CID5153130
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C18H33N3O2/c1-2-3-13-22-14-5-7-19-17-18-6-4-8-21(18)10-9-20-11-15-23-16-12-20/h4,6,8,19H,2-3,5,7,9-17H2,1H3
InChIKeyLHRSTNSUPXCQEZ-UHFFFAOYSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
4-[(1-methyl-1H-pyrrol-2-yl)carbonothioyl]morpholine
CID 951953
3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine;oxalic acid
CID 23724179
2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid
CID 23724182
4-(1H-pyrrol-2-ylcarbothioyl)morpholine
CID 851000
1-methyl-4-(1H-pyrrol-2-ylmethyl)piperazine
CID 677258
4-[(1H-pyrrol-2-yl)methyl]morpholine
CID 66636594
[3-(Dimethylamino)propyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1814905
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
(2-Methoxyethyl)((pyridin-2-yl)methyl)amine
CID 4723821
((1-methyl-1H-pyrrol-2-yl)methyl)(propan-2-yl)amine
CID 10534864

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine (CID 5153130) is 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine is CCCCOCCCNCc1cccn1CCN1CCOCC1.
What is the InChIKey of 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is LHRSTNSUPXCQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-3-13-22-14-5-7-19-17-18-6-4-8-21(18)10-9-20-11-15-23-16-12-20/h4,6,8,19H,2-3,5,7,9-17H2,1H3.
What are the key properties of 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine?
3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 323.48 g/mol, XLogP of 2.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 5153130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).