2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide

C19H38IN5O2 — CID 111004110

IUPAC2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC1(N2CCOCC2)CCCCC1.I
InChIInChI=1S/C19H37N5O2.HI/c1-3-10-21-17(25)15-22-18(20-4-2)23-16-19(8-6-5-7-9-19)24-11-13-26-14-12-24;/h3-16H2,1-2H3,(H,21,25)(H2,20,22,23);1H
InChIKeyKDQDJMLOZTYFKF-UHFFFAOYSA-N
MW495.45 g/mol
LogP1.72
Rot. Bonds8

About 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide

2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111004110) has the molecular formula C19H38IN5O2 and a molecular weight of 495.45 g/mol. Its IUPAC name is 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111004110
Molecular FormulaC19H38IN5O2
Molecular Weight495.45 g/mol
Exact Mass495.21
IUPAC Name2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC1(N2CCOCC2)CCCCC1.I
InChIInChI=1S/C19H37N5O2.HI/c1-3-10-21-17(25)15-22-18(20-4-2)23-16-19(8-6-5-7-9-19)24-11-13-26-14-12-24;/h3-16H2,1-2H3,(H,21,25)(H2,20,22,23);1H
InChIKeyKDQDJMLOZTYFKF-UHFFFAOYSA-N
XLogP1.72
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 51.72
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111003288
N-tert-butyl-2-[[ethylamino-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]methylidene]amino]acetamide
CID 111839583
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111004092
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
1-ethyl-3-(2-methylsulfonylethyl)-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003490
1-tert-butyl-3-ethyl-2-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 110966203
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-propylacetamide
CID 111936645
1-ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8788201
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111658919
1-ethyl-2-[[4-(2-methoxyethylamino)phenyl]methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003562

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide (CID 111004110) is 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)NCC1(N2CCOCC2)CCCCC1.I.
What is the InChIKey of 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is KDQDJMLOZTYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2.HI/c1-3-10-21-17(25)15-22-18(20-4-2)23-16-19(8-6-5-7-9-19)24-11-13-26-14-12-24;/h3-16H2,1-2H3,(H,21,25)(H2,20,22,23);1H.
What are the key properties of 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 495.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).