N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide

C22H41N5O2 — CID 110048939

IUPACN,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCC1CCN(C2CCC(N/C(=N/CC(=O)N(C)C)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C22H41N5O2/c1-17-10-12-27(13-11-17)19-8-6-18(7-9-19)25-22(24-16-21(28)26(2)3)23-15-20-5-4-14-29-20/h17-20H,4-16H2,1-3H3,(H2,23,24,25)
InChIKeyFRVOAXJRJSOHQU-UHFFFAOYSA-N
MW407.60 g/mol
LogP1.83
Rot. Bonds6

About N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide (PubChem CID 110048939) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
PubChem CID110048939
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC NameN,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCC1CCN(C2CCC(N/C(=N/CC(=O)N(C)C)NCC3CCCO3)CC2)CC1
InChIInChI=1S/C22H41N5O2/c1-17-10-12-27(13-11-17)19-8-6-18(7-9-19)25-22(24-16-21(28)26(2)3)23-15-20-5-4-14-29-20/h17-20H,4-16H2,1-3H3,(H2,23,24,25)
InChIKeyFRVOAXJRJSOHQU-UHFFFAOYSA-N
XLogP1.83
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110048944
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111542211
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110048914
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039625
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[(4-propan-2-yloxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110048810
N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110039682
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039624
2-[[(cyclopent-3-en-1-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047195
2-[[[(1,1-dioxothiolan-3-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111893738
2-[[[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047321
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110040963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide (CID 110048939) is N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide is CC1CCN(C2CCC(N/C(=N/CC(=O)N(C)C)NCC3CCCO3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is FRVOAXJRJSOHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-17-10-12-27(13-11-17)19-8-6-18(7-9-19)25-22(24-16-21(28)26(2)3)23-15-20-5-4-14-29-20/h17-20H,4-16H2,1-3H3,(H2,23,24,25).
What are the key properties of N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 407.60 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110048939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).