1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C19H34F3N5O — CID 109379400

About 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 109379400) has the molecular formula C19H34F3N5O and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
• PubChem CID: 109379400
• Molecular Formula: C19H34F3N5O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.27
• IUPAC Name: 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
• SMILES: CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)N1CCN(C(C)C(F)(F)F)CC1
• InChI: InChI=1S/C19H34F3N5O/c1-5-23-17(24-14-18(8-6-7-9-18)16(28)25(3)4)27-12-10-26(11-13-27)15(2)19(20,21)22/h15H,5-14H2,1-4H3,(H,23,24)
• InChIKey: KYXUVSXZOYROFV-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 51.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The IUPAC name of 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 109379400) is 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

What is the SMILES notation for 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The canonical SMILES for 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)N1CCN(C(C)C(F)(F)F)CC1.

What is the InChIKey of 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

The InChIKey is KYXUVSXZOYROFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O/c1-5-23-17(24-14-18(8-6-7-9-18)16(28)25(3)4)27-12-10-26(11-13-27)15(2)19(20,21)22/h15H,5-14H2,1-4H3,(H,23,24).

What are the key properties of 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?

1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 109379400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).