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

C18H33N3O — CID 4537540

IUPACN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C18H33N3O/c1-2-3-4-5-6-9-19-17-18-8-7-10-21(18)12-11-20-13-15-22-16-14-20/h7-8,10,19H,2-6,9,11-17H2,1H3
InChIKeyFPDGRWYBAUOSER-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.88
Rot. Bonds11

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

N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine (PubChem CID 4537540) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
PubChem CID4537540
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C18H33N3O/c1-2-3-4-5-6-9-19-17-18-8-7-10-21(18)12-11-20-13-15-22-16-14-20/h7-8,10,19H,2-6,9,11-17H2,1H3
InChIKeyFPDGRWYBAUOSER-UHFFFAOYSA-N
XLogP2.88
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.88
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

N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66411495
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
CID 7318399
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine (CID 4537540) is N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine is CCCCCCCNCc1cccn1CCN1CCOCC1.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine?
The InChIKey is FPDGRWYBAUOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-2-3-4-5-6-9-19-17-18-8-7-10-21(18)12-11-20-13-15-22-16-14-20/h7-8,10,19H,2-6,9,11-17H2,1H3.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine?
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine has a molecular weight of 307.48 g/mol, XLogP of 2.88, 11 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]heptan-1-amine is sourced from PubChem (CID 4537540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).