N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid

C19H30F3N5O3 — CID 155832175

About N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155832175) has the molecular formula C19H30F3N5O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid
• PubChem CID: 155832175
• Molecular Formula: C19H30F3N5O3
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.23
• IUPAC Name: N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid
• SMILES: CN(C)CCN1CCOCC2(CCCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H29N5O.C2HF3O2/c1-20(2)9-10-21-11-12-23-15-17(13-21)5-3-8-22(14-17)16-18-6-4-7-19-16;3-2(4,5)1(6)7/h4,6-7H,3,5,8-15H2,1-2H3;(H,6,7)
• InChIKey: DSVQQPZVVHTSJG-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 82.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 155832175) is N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid is CN(C)CCN1CCOCC2(CCCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid?

The InChIKey is DSVQQPZVVHTSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.C2HF3O2/c1-20(2)9-10-21-11-12-23-15-17(13-21)5-3-8-22(14-17)16-18-6-4-7-19-16;3-2(4,5)1(6)7/h4,6-7H,3,5,8-15H2,1-2H3;(H,6,7).

What are the key properties of N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid?

N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 433.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155832175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).