2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C19H32N4OS — CID 111582214

IUPAC2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC(C)(C)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H32N4OS/c1-19(2,16-11-8-12-25-16)14-21-18(20-13-17(24)23(3)4)22-15-9-6-5-7-10-15/h8,11-12,15H,5-7,9-10,13-14H2,1-4H3,(H2,20,21,22)
InChIKeyNUGGSRKESGMUJR-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.98
Rot. Bonds6

About 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111582214) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111582214
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC(C)(C)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H32N4OS/c1-19(2,16-11-8-12-25-16)14-21-18(20-13-17(24)23(3)4)22-15-9-6-5-7-10-15/h8,11-12,15H,5-7,9-10,13-14H2,1-4H3,(H2,20,21,22)
InChIKeyNUGGSRKESGMUJR-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111841624
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methylidene]amino]acetamide
CID 109420200
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
N,N-dimethyl-2-[[(thian-3-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042640
2-[[(cyclopentylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841779
2-[[[(1-acetylpiperidin-4-yl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119133403
2-[[(cyclopentylamino)-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036338
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110045645
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111582214) is 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCC(C)(C)c1cccs1)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is NUGGSRKESGMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-19(2,16-11-8-12-25-16)14-21-18(20-13-17(24)23(3)4)22-15-9-6-5-7-10-15/h8,11-12,15H,5-7,9-10,13-14H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 364.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111582214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).