2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide

C19H34F3N5O — CID 110034419

IUPAC2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCC1CCN(CC(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C19H34F3N5O/c1-26(2)17(28)13-24-18(25-16-5-3-4-6-16)23-10-7-15-8-11-27(12-9-15)14-19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25)
InChIKeyUTIPVVYDGWJRBM-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.22
Rot. Bonds7

About 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110034419) has the molecular formula C19H34F3N5O and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110034419
Molecular FormulaC19H34F3N5O
Molecular Weight405.51 g/mol
Exact Mass405.27
IUPAC Name2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCC1CCN(CC(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C19H34F3N5O/c1-26(2)17(28)13-24-18(25-16-5-3-4-6-16)23-10-7-15-8-11-27(12-9-15)14-19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25)
InChIKeyUTIPVVYDGWJRBM-UHFFFAOYSA-N
XLogP2.22
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.22
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

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376060
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376061
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376888
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376889
2-[[(butan-2-ylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109376955
1-[4-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109377160
1-[4-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]butyl]piperidine-4-carboxamide
CID 109377161
N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109377358
N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377359
2-[[butylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109377360
2-[[butylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109377361
2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109377772

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110034419) is 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCC1CCN(CC(F)(F)F)CC1)NC1CCCC1.
What is the InChIKey of 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UTIPVVYDGWJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O/c1-26(2)17(28)13-24-18(25-16-5-3-4-6-16)23-10-7-15-8-11-27(12-9-15)14-19(20,21)22/h15-16H,3-14H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 405.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).