N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide

C16H30F3N5O — CID 109377359

IUPACN,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C16H30F3N5O/c1-12(2)10-20-15(21-11-14(25)22(4)5)24-8-6-23(7-9-24)13(3)16(17,18)19/h12-13H,6-11H2,1-5H3,(H,20,21)
InChIKeyOPGTXGNBQGNFMC-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.24
Rot. Bonds5

About N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide (PubChem CID 109377359) has the molecular formula C16H30F3N5O and a molecular weight of 365.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
PubChem CID109377359
Molecular FormulaC16H30F3N5O
Molecular Weight365.44 g/mol
Exact Mass365.24
IUPAC NameN,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C16H30F3N5O/c1-12(2)10-20-15(21-11-14(25)22(4)5)24-8-6-23(7-9-24)13(3)16(17,18)19/h12-13H,6-11H2,1-5H3,(H,20,21)
InChIKeyOPGTXGNBQGNFMC-UHFFFAOYSA-N
XLogP1.24
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide (CID 109377359) is N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide is CC(C)CN/C(=N\CC(=O)N(C)C)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
The InChIKey is OPGTXGNBQGNFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N5O/c1-12(2)10-20-15(21-11-14(25)22(4)5)24-8-6-23(7-9-24)13(3)16(17,18)19/h12-13H,6-11H2,1-5H3,(H,20,21).
What are the key properties of N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide is sourced from PubChem (CID 109377359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).