2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide

C17H29F3N4O — CID 110038943

IUPAC2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NC1CCCC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H29F3N4O/c1-24(2)15(25)11-21-16(22-13-7-3-4-8-13)23-14-9-5-6-12(10-14)17(18,19)20/h12-14H,3-11H2,1-2H3,(H2,21,22,23)
InChIKeyMQLHVKUUWQSCHD-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.67
Rot. Bonds4

About 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038943) has the molecular formula C17H29F3N4O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038943
Molecular FormulaC17H29F3N4O
Molecular Weight362.44 g/mol
Exact Mass362.23
IUPAC Name2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NC1CCCC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H29F3N4O/c1-24(2)15(25)11-21-16(22-13-7-3-4-8-13)23-14-9-5-6-12(10-14)17(18,19)20/h12-14H,3-11H2,1-2H3,(H2,21,22,23)
InChIKeyMQLHVKUUWQSCHD-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110038943) is 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NC1CCCC1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is MQLHVKUUWQSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3N4O/c1-24(2)15(25)11-21-16(22-13-7-3-4-8-13)23-14-9-5-6-12(10-14)17(18,19)20/h12-14H,3-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 362.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).