2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid

C21H37N3O5 — CID 23724182

IUPAC2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid
SMILESCCCCC(CC)CNCc1cccn1CCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H35N3O.C2H2O4/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21;3-1(4)2(5)6/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBZRPVXSNCKPEGC-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.28
Rot. Bonds11

About 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid

2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid (PubChem CID 23724182) has the molecular formula C21H37N3O5 and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid.

Molecular Properties

Compound Name2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid
PubChem CID23724182
Molecular FormulaC21H37N3O5
Molecular Weight411.54 g/mol
Exact Mass411.27
IUPAC Name2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid
SMILESCCCCC(CC)CNCc1cccn1CCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H35N3O.C2H2O4/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21;3-1(4)2(5)6/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBZRPVXSNCKPEGC-UHFFFAOYSA-N
XLogP2.28
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Allyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
CID 649605
3-butoxy-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]propan-1-amine;oxalic acid
CID 23724179
Butyl-(1-phenyl-1H-pyrrol-2-ylmethyl)-amine
CID 2844014
Ketone, phenyl 3-pyridyl, O-(2-(diethylamino)ethyl)oxime, oxalate (1:1), (Z)-
CID 5361555
Ketone, phenyl 3-pyridyl, O-(2-(diethylamino)ethyl)oxime oxalate, hydrate (2:3:3), (E)-
CID 5361557
Ketone, phenyl 3-pyridyl, O-(2-(dimethylamino)ethyl)oxime, oxalate, hydrate (2:3:1), (E)-
CID 9570772
Ketone, phenyl 3-pyridyl, O-(2-(dimethylamino)ethyl)oxime, oxalate (2:3), (Z)-
CID 9570773
1-methyl-4-(1H-pyrrol-2-ylmethyl)piperazine;oxalic acid
CID 45109730
N-[[(3S,4R)-3-(dimethylamino)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
CID 91920961
2-ethyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-pyrrol-2-yl}methyl)hexan-1-amine
CID 4681297
3-butoxy-N-({1-[2-(morpholin-4-yl)ethyl]-1H-pyrrol-2-yl}methyl)propan-1-amine
CID 5153130
1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine;oxalic acid
CID 16248933

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid?
The IUPAC name of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid (CID 23724182) is 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid.
What is the SMILES notation for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid?
The canonical SMILES for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid is CCCCC(CC)CNCc1cccn1CCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid?
The InChIKey is BZRPVXSNCKPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.C2H2O4/c1-3-5-7-18(4-2)16-20-17-19-8-6-9-22(19)11-10-21-12-14-23-15-13-21;3-1(4)2(5)6/h6,8-9,18,20H,3-5,7,10-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid?
2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid has a molecular weight of 411.54 g/mol, XLogP of 2.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]hexan-1-amine;oxalic acid is sourced from PubChem (CID 23724182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).