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

C15H27N3O — CID 5238419

IUPACN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine
SMILESCCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C15H27N3O/c1-2-3-6-16-14-15-5-4-7-18(15)9-8-17-10-12-19-13-11-17/h4-5,7,16H,2-3,6,8-14H2,1H3
InChIKeyXWOUMYAUPMCTLT-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.71
Rot. Bonds8

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

N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine (PubChem CID 5238419) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine
PubChem CID5238419
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine
SMILESCCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C15H27N3O/c1-2-3-6-16-14-15-5-4-7-18(15)9-8-17-10-12-19-13-11-17/h4-5,7,16H,2-3,6,8-14H2,1H3
InChIKeyXWOUMYAUPMCTLT-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(2-Pyridyl)ethyl)morpholine
CID 95909
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
2-(Morpholinomethyl)-pyridine
CID 269694
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
Pyrrole, 1-(2-(2-(diethylamino)ethoxy)ethyl)-2,5-dimethyl-
CID 260021
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
Nsc65650
CID 248485
4-[4-(1H-pyrrol-1-yl)phenyl]morpholine
CID 882019

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine (CID 5238419) is N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine is CCCCNCc1cccn1CCN1CCOCC1.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine?
The InChIKey is XWOUMYAUPMCTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-3-6-16-14-15-5-4-7-18(15)9-8-17-10-12-19-13-11-17/h4-5,7,16H,2-3,6,8-14H2,1H3.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine?
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 5238419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).