N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide

C20H38N6O2 — CID 110039687

IUPACN,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
SMILESCNC(=O)CN1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2C)CC1
InChIInChI=1S/C20H38N6O2/c1-15-7-5-6-8-17(15)24-20(22-13-19(28)25(3)4)23-16-9-11-26(12-10-16)14-18(27)21-2/h15-17H,5-14H2,1-4H3,(H,21,27)(H2,22,23,24)
InChIKeyONAXBHVFZCLXGP-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.40
Rot. Bonds6

About N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide (PubChem CID 110039687) has the molecular formula C20H38N6O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
PubChem CID110039687
Molecular FormulaC20H38N6O2
Molecular Weight394.56 g/mol
Exact Mass394.31
IUPAC NameN,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
SMILESCNC(=O)CN1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2C)CC1
InChIInChI=1S/C20H38N6O2/c1-15-7-5-6-8-17(15)24-20(22-13-19(28)25(3)4)23-16-9-11-26(12-10-16)14-18(27)21-2/h15-17H,5-14H2,1-4H3,(H,21,27)(H2,22,23,24)
InChIKeyONAXBHVFZCLXGP-UHFFFAOYSA-N
XLogP0.40
TPSA89.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.40
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-[[[(1-ethylsulfonylpiperidin-4-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039052
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110040324
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110039682
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(thian-3-ylamino)methylidene]amino]acetamide
CID 110042657
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclohexylamino)-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110041658
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[[(1-benzylpiperidin-4-yl)amino]-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365275
2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041105
N,N-dimethyl-2-[[(3-methylbutylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111494855

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide (CID 110039687) is N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide is CNC(=O)CN1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCCC2C)CC1.
What is the InChIKey of N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide?
The InChIKey is ONAXBHVFZCLXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6O2/c1-15-7-5-6-8-17(15)24-20(22-13-19(28)25(3)4)23-16-9-11-26(12-10-16)14-18(27)21-2/h15-17H,5-14H2,1-4H3,(H,21,27)(H2,22,23,24).
What are the key properties of N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 110039687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).