2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H37IN4O2 — CID 110049497

IUPAC2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCC1)N(C)CC1CCOCC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-22(2)18(24)14-21-19(20-13-16-7-5-4-6-8-16)23(3)15-17-9-11-25-12-10-17;/h16-17H,4-15H2,1-3H3,(H,20,21);1H
InChIKeyGQWRGJVEHNSKHY-UHFFFAOYSA-N
MW480.44 g/mol
LogP2.58
Rot. Bonds6

About 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110049497) has the molecular formula C19H37IN4O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110049497
Molecular FormulaC19H37IN4O2
Molecular Weight480.44 g/mol
Exact Mass480.20
IUPAC Name2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCC1)N(C)CC1CCOCC1.I
InChIInChI=1S/C19H36N4O2.HI/c1-22(2)18(24)14-21-19(20-13-16-7-5-4-6-8-16)23(3)15-17-9-11-25-12-10-17;/h16-17H,4-15H2,1-3H3,(H,20,21);1H
InChIKeyGQWRGJVEHNSKHY-UHFFFAOYSA-N
XLogP2.58
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[[[2-(furan-2-yl)ethylamino]-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110061189
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049474
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470
2-[[[2-(4-methoxyphenyl)ethylamino]-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109382166
2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049092
2-[[(4-cyclohexylbutan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043696
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
tert-butyl N-[1-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxolan-3-ylmethyl)carbamimidoyl]-methylamino]-4-methylpentan-3-yl]carbamate;hydroiodide
CID 110042742
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111654805

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110049497) is 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(\NCC1CCCCC1)N(C)CC1CCOCC1.I.
What is the InChIKey of 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is GQWRGJVEHNSKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2.HI/c1-22(2)18(24)14-21-19(20-13-16-7-5-4-6-8-16)23(3)15-17-9-11-25-12-10-17;/h16-17H,4-15H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 480.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110049497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).