N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

C17H30IN5O2 — CID 109431554

IUPACN-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCc1nc(C)c(C)o1.I
InChIInChI=1S/C17H29N5O2.HI/c1-4-18-17(20-11-16-21-12(2)13(3)24-16)19-10-15(23)22-14-8-6-5-7-9-14;/h14H,4-11H2,1-3H3,(H,22,23)(H2,18,19,20);1H
InChIKeyRTOWHVRGDBJSDA-UHFFFAOYSA-N
MW463.36 g/mol
LogP2.41
Rot. Bonds6

About N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 109431554) has the molecular formula C17H30IN5O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID109431554
Molecular FormulaC17H30IN5O2
Molecular Weight463.36 g/mol
Exact Mass463.14
IUPAC NameN-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCc1nc(C)c(C)o1.I
InChIInChI=1S/C17H29N5O2.HI/c1-4-18-17(20-11-16-21-12(2)13(3)24-16)19-10-15(23)22-14-8-6-5-7-9-14;/h14H,4-11H2,1-3H3,(H,22,23)(H2,18,19,20);1H
InChIKeyRTOWHVRGDBJSDA-UHFFFAOYSA-N
XLogP2.41
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 52.41
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

N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111623207
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
1-cyclohexyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 113226459
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370563
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111325367
N-cyclopropyl-2-[[ethylamino-[(5-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide
CID 111524852

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (CID 109431554) is N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CCCCC1)NCc1nc(C)c(C)o1.I.
What is the InChIKey of N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is RTOWHVRGDBJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.HI/c1-4-18-17(20-11-16-21-12(2)13(3)24-16)19-10-15(23)22-14-8-6-5-7-9-14;/h14H,4-11H2,1-3H3,(H,22,23)(H2,18,19,20);1H.
What are the key properties of N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 463.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 109431554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).