2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide

C19H39N5O2 — CID 111936645

IUPAC2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C19H39N5O2/c1-5-9-21-18(25)15-23-19(20-8-4)22-14-17(16(6-2)7-3)24-10-12-26-13-11-24/h16-17H,5-15H2,1-4H3,(H,21,25)(H2,20,22,23)
InChIKeyHAUCJZCWXICTFE-UHFFFAOYSA-N
MW369.55 g/mol
LogP1.20
Rot. Bonds11

About 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide

2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide (PubChem CID 111936645) has the molecular formula C19H39N5O2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
PubChem CID111936645
Molecular FormulaC19H39N5O2
Molecular Weight369.55 g/mol
Exact Mass369.31
IUPAC Name2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C(CC)CC)N1CCOCC1
InChIInChI=1S/C19H39N5O2/c1-5-9-21-18(25)15-23-19(20-8-4)22-14-17(16(6-2)7-3)24-10-12-26-13-11-24/h16-17H,5-15H2,1-4H3,(H,21,25)(H2,20,22,23)
InChIKeyHAUCJZCWXICTFE-UHFFFAOYSA-N
XLogP1.20
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
CID 111228651
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607470
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111998804
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111607471
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111309840
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111936692
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111936678
N-butan-2-yl-3-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111936282
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111658919

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide (CID 111936645) is 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NCC(C(CC)CC)N1CCOCC1.
What is the InChIKey of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide?
The InChIKey is HAUCJZCWXICTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O2/c1-5-9-21-18(25)15-23-19(20-8-4)22-14-17(16(6-2)7-3)24-10-12-26-13-11-24/h16-17H,5-15H2,1-4H3,(H,21,25)(H2,20,22,23).
What are the key properties of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide?
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide has a molecular weight of 369.55 g/mol, XLogP of 1.20, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111936645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).